BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 23655 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)Nc1ccccc1 InChI=1S/C19H28N4O3/c1-12(2)16(22-17(24)13(3)20)19(26)23-11-7-10-15(23)18(25)21-14-8-5-4-6-9-14/h4-6,8-9,12-13,15-16H,7,10-11,20H2,1-3H3,(H,21,25)(H,22,24)/t13-,15-,16-/m0/s1 JJITZNJGYINLAK-BPUTZDHNSA-N 13149 (2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-phenylpyrrolidine-2-carboxamide::Smac peptido-mimetic 6g E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 4900 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.008 10.7270/Q2H41PP8 15664859 aid1796997 Sun, H; Nikolovska-Coleska, Z; Chen, J; Yang, CY; Tomita, Y; Pan, H; Yoshioka, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13149&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646334 46513562 C03803 ZINC14951832 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23656 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1 InChI=1S/C21H32N4O3/c1-14(2)18(24-19(26)15(3)22)21(28)25-13-7-10-17(25)20(27)23-12-11-16-8-5-4-6-9-16/h4-6,8-9,14-15,17-18H,7,10-13,22H2,1-3H3,(H,23,27)(H,24,26)/t15-,17-,18-/m0/s1 ZVSVRPUZPIDLBB-SZMVWBNQSA-N 13150 (2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide::Smac peptido-mimetic 6h E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 150 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.008 10.7270/Q2H41PP8 15664859 aid1796997 Sun, H; Nikolovska-Coleska, Z; Chen, J; Yang, CY; Tomita, Y; Pan, H; Yoshioka, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13150&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11176734 46513563 C03803 ZINC14951837 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23657 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C26H34N4O3/c1-17(2)22(28-24(31)18(3)27)26(33)30-16-10-15-21(30)25(32)29-23(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,17-18,21-23H,10,15-16,27H2,1-3H3,(H,28,31)(H,29,32)/t18-,21-,22-/m0/s1 WKJJKOCFFPMSNU-NYVOZVTQSA-N 13151 (2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide::Smac peptido-mimetic 6i E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 28 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.008 10.7270/Q2H41PP8 15664859 aid1796997 Sun, H; Nikolovska-Coleska, Z; Chen, J; Yang, CY; Tomita, Y; Pan, H; Yoshioka, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13151&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11317764 46513564 C03803 ZINC14951842 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23658 CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C27H36N4O3/c1-4-21(28)25(32)29-23(18(2)3)27(34)31-17-11-16-22(31)26(33)30-24(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-10,12-15,18,21-24H,4,11,16-17,28H2,1-3H3,(H,29,32)(H,30,33)/t21-,22-,23-/m0/s1 ZYQRNUJYGVCLAR-VABKMULXSA-N 13152 (2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide::Smac peptido-mimetic 6j E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 24 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.008 10.7270/Q2H41PP8 15664859 aid1796997 Sun, H; Nikolovska-Coleska, Z; Chen, J; Yang, CY; Tomita, Y; Pan, H; Yoshioka, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13152&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11351754 46513565 ZINC14951847 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23659 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1CCCc1ccccc1 InChI=1S/C21H33N3O2/c1-15(2)19(23-20(25)16(3)22)21(26)24-14-8-13-18(24)12-7-11-17-9-5-4-6-10-17/h4-6,9-10,15-16,18-19H,7-8,11-14,22H2,1-3H3,(H,23,25)/t16-,18+,19-/m0/s1 UUZJQDOGNYCTBE-UHOSZYNNSA-N 13153 (2S)-2-amino-N-[(2S)-3-methyl-1-oxo-1-[(2R)-2-(3-phenylpropyl)pyrrolidin-1-yl]butan-2-yl]propanamide::Smac peptido-mimetic 10 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1200 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.008 10.7270/Q2H41PP8 15664859 aid1796997 Sun, H; Nikolovska-Coleska, Z; Chen, J; Yang, CY; Tomita, Y; Pan, H; Yoshioka, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13153&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646335 46513566 C03803 ZINC14951852 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23660 CC(C)[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1 InChI=1S/C20H30N4O3/c1-14(2)18(23-17(25)13-21)20(27)24-12-6-9-16(24)19(26)22-11-10-15-7-4-3-5-8-15/h3-5,7-8,14,16,18H,6,9-13,21H2,1-2H3,(H,22,26)(H,23,25)/t16-,18-/m0/s1 HFUIGTYWXUTFNQ-WMZOPIPTSA-N 13154 (2S)-1-[(2S)-2-(2-aminoacetamido)-3-methylbutanoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide::Smac peptido-mimetic 12a E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 68000 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.008 10.7270/Q2H41PP8 15664859 aid1796997 Sun, H; Nikolovska-Coleska, Z; Chen, J; Yang, CY; Tomita, Y; Pan, H; Yoshioka, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13154&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646336 46513567 ZINC14951857 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23661 CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 InChI=1S/C21H32N4O3/c1-4-16(22)19(26)24-18(14(2)3)21(28)25-12-8-11-17(25)20(27)23-13-15-9-6-5-7-10-15/h5-7,9-10,14,16-18H,4,8,11-13,22H2,1-3H3,(H,23,27)(H,24,26)/t16-,17-,18-/m0/s1 QLSCFXXQNWFPJE-BZSNNMDCSA-N 13155 (2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-benzylpyrrolidine-2-carboxamide::Smac peptido-mimetic 12b E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 81 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.008 10.7270/Q2H41PP8 15664859 aid1796997 Sun, H; Nikolovska-Coleska, Z; Chen, J; Yang, CY; Tomita, Y; Pan, H; Yoshioka, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13155&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646337 46513568 ZINC14951862 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23662 CC(C)[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 InChI=1S/C22H34N4O3/c1-14(2)18(23)21(28)25-19(15(3)4)22(29)26-12-8-11-17(26)20(27)24-13-16-9-6-5-7-10-16/h5-7,9-10,14-15,17-19H,8,11-13,23H2,1-4H3,(H,24,27)(H,25,28)/t17-,18-,19-/m0/s1 MSOXVCVBUQCJOZ-FHWLQOOXSA-N 13156 (2S)-1-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-methylbutanoyl]-N-benzylpyrrolidine-2-carboxamide::Smac peptido-mimetic 12c E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 4150 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.008 10.7270/Q2H41PP8 15664859 aid1796997 Sun, H; Nikolovska-Coleska, Z; Chen, J; Yang, CY; Tomita, Y; Pan, H; Yoshioka, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13156&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646338 46513569 ZINC14951869 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23663 CCC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 InChI=1S/C22H34N4O3/c1-4-9-17(23)20(27)25-19(15(2)3)22(29)26-13-8-12-18(26)21(28)24-14-16-10-6-5-7-11-16/h5-7,10-11,15,17-19H,4,8-9,12-14,23H2,1-3H3,(H,24,28)(H,25,27)/t17-,18-,19-/m0/s1 WYJGQILOOWFNSE-FHWLQOOXSA-N 13157 (2S)-1-[(2S)-2-[(2S)-2-aminopentanamido]-3-methylbutanoyl]-N-benzylpyrrolidine-2-carboxamide::Smac peptido-mimetic 12d E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 54000 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.008 10.7270/Q2H41PP8 15664859 aid1796997 Sun, H; Nikolovska-Coleska, Z; Chen, J; Yang, CY; Tomita, Y; Pan, H; Yoshioka, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13157&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646339 46513570 ZINC14951874 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23664 CCCCCCCCCC=Cc1c(O)c(O)cc(O)c1O InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h10-12,18-21H,2-9H2,1H3 LEMOCKLYNMZOCJ-UHFFFAOYSA-N 13158 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione::Embelin E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 400 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.08.072 10.7270/Q2CC0XX3 16962773 aid1796998 Chen, J; Nikolovska-Coleska, Z; Wang, G; Qiu, S; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13158 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13158&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 91895878 46513571 4778 ZINC01531764 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23665 Oc1cc(O)c(O)c(C=C)c1O InChI=1S/C8H8O4/c1-2-4-7(11)5(9)3-6(10)8(4)12/h2-3,9-12H,1H2 HPINTYLIRRVITJ-UHFFFAOYSA-N 13159 3-ethyl-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione::Embelin deriv. 6a E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 10400 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.08.072 10.7270/Q2CC0XX3 16962773 aid1796998 Chen, J; Nikolovska-Coleska, Z; Wang, G; Qiu, S; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13159 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13159&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 53889249 46509418 ZINC00338276 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23666 CCCCCCC=Cc1c(O)c(O)cc(O)c1O InChI=1S/C14H20O4/c1-2-3-4-5-6-7-8-10-13(17)11(15)9-12(16)14(10)18/h7-9,15-18H,2-6H2,1H3 BZSLPCVZZYXZCI-UHFFFAOYSA-N 13160 2,5-dihydroxy-3-octylcyclohexa-2,5-diene-1,4-dione::Embelin deriv. 6b E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1250 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.08.072 10.7270/Q2CC0XX3 16962773 aid1796998 Chen, J; Nikolovska-Coleska, Z; Wang, G; Qiu, S; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13160&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 91895879 46513572 ZINC14951881 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23667 Oc1cc(O)c(O)c(C=CCCc2ccccc2)c1O InChI=1S/C16H16O4/c17-13-10-14(18)16(20)12(15(13)19)9-5-4-8-11-6-2-1-3-7-11/h1-3,5-7,9-10,17-20H,4,8H2 GFDNZBBKXLKELZ-UHFFFAOYSA-N 13161 2,5-dihydroxy-3-(4-phenylbutyl)cyclohexa-2,5-diene-1,4-dione::Embelin deriv. 6c E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1300 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.08.072 10.7270/Q2CC0XX3 16962773 aid1796998 Chen, J; Nikolovska-Coleska, Z; Wang, G; Qiu, S; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13161&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 91895880 46513573 ZINC14951886 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23668 Oc1cc(O)c(O)c(C=Cc2ccccc2)c1O InChI=1S/C14H12O4/c15-11-8-12(16)14(18)10(13(11)17)7-6-9-4-2-1-3-5-9/h1-8,15-18H WMLDJTWXYSRCJT-UHFFFAOYSA-N 13162 2,5-dihydroxy-3-(2-phenylethyl)cyclohexa-2,5-diene-1,4-dione::Embelin deriv. 6d E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 710 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.08.072 10.7270/Q2CC0XX3 16962773 aid1796998 Chen, J; Nikolovska-Coleska, Z; Wang, G; Qiu, S; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13162&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 91895881 46513574 ZINC14951891 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23669 CCCCc1cccc(C=Cc2c(O)c(O)cc(O)c2O)c1 InChI=1S/C18H20O4/c1-2-3-5-12-6-4-7-13(10-12)8-9-14-17(21)15(19)11-16(20)18(14)22/h4,6-11,19-22H,2-3,5H2,1H3 LQXJBYZUQZSAMT-UHFFFAOYSA-N 13163 3-[2-(3-butylphenyl)ethyl]-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione::Embelin deriv. 6e E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 480 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.08.072 10.7270/Q2CC0XX3 16962773 aid1796998 Chen, J; Nikolovska-Coleska, Z; Wang, G; Qiu, S; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13163&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 91895882 46513575 ZINC14951896 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23670 Oc1cc(O)c(O)c(C=Cc2cccc(CCc3ccccc3)c2)c1O InChI=1S/C22H20O4/c23-19-14-20(24)22(26)18(21(19)25)12-11-17-8-4-7-16(13-17)10-9-15-5-2-1-3-6-15/h1-8,11-14,23-26H,9-10H2 SRAXBXKSVCJWDX-UHFFFAOYSA-N 13164 2,5-dihydroxy-3-{2-[3-(2-phenylethyl)phenyl]ethyl}cyclohexa-2,5-diene-1,4-dione::Embelin deriv. 6f E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 380 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.08.072 10.7270/Q2CC0XX3 16962773 aid1796998 Chen, J; Nikolovska-Coleska, Z; Wang, G; Qiu, S; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13164&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 91895883 46513576 ZINC14951902 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23671 Cc1cccc(CCc2cccc(C=Cc3c(O)c(O)cc(O)c3O)c2)c1 InChI=1S/C23H22O4/c1-15-4-2-5-16(12-15)8-9-17-6-3-7-18(13-17)10-11-19-22(26)20(24)14-21(25)23(19)27/h2-7,10-14,24-27H,8-9H2,1H3 UQNROPGQMRVCCD-UHFFFAOYSA-N 13165 2,5-dihydroxy-3-(2-{3-[2-(3-methylphenyl)ethyl]phenyl}ethyl)cyclohexa-2,5-diene-1,4-dione::Embelin deriv. 6g E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 180 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2006.08.072 10.7270/Q2CC0XX3 16962773 aid1796998 Chen, J; Nikolovska-Coleska, Z; Wang, G; Qiu, S; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13165&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 91895884 46513577 ZINC14951907 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23672 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C InChI=1S/C25H38N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,19+,20-,21+/m0/s1 JUJIMRZGUBTJRV-NASSWSRMSA-N 13166 (2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide::Capped Tripeptide Analog 2::H-N-Me-Ala-Tle-Pro-(R)-tetrahydronaphth-1-yl Amide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 12 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm040037k 10.7270/Q27M065Q 15317454 aid1796999 Oost, TK; Sun, C; Armstrong, RC; Al-Assaad, AS; Betz, SF; Deckwerth, TL; Ding, H; Elmore, SW; Meadows, RP; Olejniczak, ET; Oleksijew, A; Oltersdorf, T; Rosenberg, SH; Shoemaker, AR; Tomaselli, KJ; Zou, H; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13166&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 998 1TFQ 4369343 46513578 DB02628 ZINC03960063 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23673 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc12)C(C)(C)C InChI=1S/C25H38N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,19-,20-,21+/m0/s1 JUJIMRZGUBTJRV-LRGNLBRXSA-N 13167 (2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide::Capped Tripeptide Analog 3::H-N-Me-Ala-Tle-Pro-(S)-tetrahydronaphth-1-yl Amide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 706 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm040037k 10.7270/Q27M065Q 15317454 aid1796999 Oost, TK; Sun, C; Armstrong, RC; Al-Assaad, AS; Betz, SF; Deckwerth, TL; Ding, H; Elmore, SW; Meadows, RP; Olejniczak, ET; Oleksijew, A; Oltersdorf, T; Rosenberg, SH; Shoemaker, AR; Tomaselli, KJ; Zou, H; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13167&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11166638 46513579 ZINC13581833 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23674 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc12)C(C)(C)C InChI=1S/C24H36N4O3/c1-15(25-5)21(29)27-20(24(2,3)4)23(31)28-14-8-11-19(28)22(30)26-18-13-12-16-9-6-7-10-17(16)18/h6-7,9-10,15,18-20,25H,8,11-14H2,1-5H3,(H,26,30)(H,27,29)/t15-,18+,19-,20+/m0/s1 OINZSHMABRPILQ-JOCLIGHLSA-N 13168 (2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]pyrrolidine-2-carboxamide::Capped Tripeptide Analog 4::H-N-Me-Ala-Tle-Pro-(R)-indan-1-yl Amide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 29 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm040037k 10.7270/Q27M065Q 15317454 aid1796999 Oost, TK; Sun, C; Armstrong, RC; Al-Assaad, AS; Betz, SF; Deckwerth, TL; Ding, H; Elmore, SW; Meadows, RP; Olejniczak, ET; Oleksijew, A; Oltersdorf, T; Rosenberg, SH; Shoemaker, AR; Tomaselli, KJ; Zou, H; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13168&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11166263 46513580 ZINC13581836 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23675 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2ccccc12)C(C)(C)C InChI=1S/C24H36N4O3/c1-15(25-5)21(29)27-20(24(2,3)4)23(31)28-14-8-11-19(28)22(30)26-18-13-12-16-9-6-7-10-17(16)18/h6-7,9-10,15,18-20,25H,8,11-14H2,1-5H3,(H,26,30)(H,27,29)/t15-,18-,19-,20+/m0/s1 OINZSHMABRPILQ-MVJPYGJCSA-N 13169 (2S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]pyrrolidine-2-carboxamide::Capped Tripeptide Analog 5::H-N-Me-Ala-Tle-Pro-(S)-indan-1-yl Amide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >1000 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm040037k 10.7270/Q27M065Q 15317454 aid1796999 Oost, TK; Sun, C; Armstrong, RC; Al-Assaad, AS; Betz, SF; Deckwerth, TL; Ding, H; Elmore, SW; Meadows, RP; Olejniczak, ET; Oleksijew, A; Oltersdorf, T; Rosenberg, SH; Shoemaker, AR; Tomaselli, KJ; Zou, H; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13169&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11750738 46513581 ZINC13581838 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23676 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12)C(C)(C)C InChI=1S/C25H34N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-8,10-13,16,20-21,26H,9,14-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,20-,21+/m0/s1 OXDCBNXVEISFST-ORYQWCPZSA-N 13170 (2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-(naphthalen-1-yl)pyrrolidine-2-carboxamide::Capped Tripeptide Analog 6::H-N-Me-Ala-Tle-Pro-naphth-1-yl Amide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >500 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm040037k 10.7270/Q27M065Q 15317454 aid1796999 Oost, TK; Sun, C; Armstrong, RC; Al-Assaad, AS; Betz, SF; Deckwerth, TL; Ding, H; Elmore, SW; Meadows, RP; Olejniczak, ET; Oleksijew, A; Oltersdorf, T; Rosenberg, SH; Shoemaker, AR; Tomaselli, KJ; Zou, H; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13170 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13170&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11419255 46513582 ZINC13581840 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23677 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2ccccc2c1)C(C)(C)C InChI=1S/C25H34N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-14-8-11-20(29)23(31)27-19-13-12-17-9-6-7-10-18(17)15-19/h6-7,9-10,12-13,15-16,20-21,26H,8,11,14H2,1-5H3,(H,27,31)(H,28,30)/t16-,20-,21+/m0/s1 VKAWYUDNOUEXGC-ORYQWCPZSA-N 13171 (2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-(naphthalen-2-yl)pyrrolidine-2-carboxamide::Capped Tripeptide Analog 7::H-N-Me-Ala-Tle-Pro-naphth-2-yl Amide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >1000 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm040037k 10.7270/Q27M065Q 15317454 aid1796999 Oost, TK; Sun, C; Armstrong, RC; Al-Assaad, AS; Betz, SF; Deckwerth, TL; Ding, H; Elmore, SW; Meadows, RP; Olejniczak, ET; Oleksijew, A; Oltersdorf, T; Rosenberg, SH; Shoemaker, AR; Tomaselli, KJ; Zou, H; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13171&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11476147 46513583 ZINC13581842 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23678 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1c2ccccc2-c2ccccc12)C(C)(C)C InChI=1S/C28H36N4O3/c1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-16-10-15-22(32)26(34)30-23-20-13-8-6-11-18(20)19-12-7-9-14-21(19)23/h6-9,11-14,17,22-24,29H,10,15-16H2,1-5H3,(H,30,34)(H,31,33)/t17-,22-,24+/m0/s1 BRTXZBROOQUGRQ-OZWPHOJSSA-N 13172 (2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-(9H-fluoren-9-yl)pyrrolidine-2-carboxamide::Capped Tripeptide Analog 8::H-N-Me-Ala-Tle-Pro-fluoren-9-yl Amide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 47 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm040037k 10.7270/Q27M065Q 15317454 aid1796999 Oost, TK; Sun, C; Armstrong, RC; Al-Assaad, AS; Betz, SF; Deckwerth, TL; Ding, H; Elmore, SW; Meadows, RP; Olejniczak, ET; Oleksijew, A; Oltersdorf, T; Rosenberg, SH; Shoemaker, AR; Tomaselli, KJ; Zou, H; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13172&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11236902 46513584 ZINC13581844 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23679 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1)C(C)(C)C InChI=1S/C23H36N4O3/c1-16(24-5)20(28)26-19(23(2,3)4)22(30)27-15-9-12-18(27)21(29)25-14-13-17-10-7-6-8-11-17/h6-8,10-11,16,18-19,24H,9,12-15H2,1-5H3,(H,25,29)(H,26,28)/t16-,18-,19+/m0/s1 JQLNZCZBMMUFJH-YTQUADARSA-N 13173 (2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide::Capped Tripeptide Analog 9::H-N-Me-Ala-Tle-Pro-phenethyl Amide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 167 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm040037k 10.7270/Q27M065Q 15317454 aid1796999 Oost, TK; Sun, C; Armstrong, RC; Al-Assaad, AS; Betz, SF; Deckwerth, TL; Ding, H; Elmore, SW; Meadows, RP; Olejniczak, ET; Oleksijew, A; Oltersdorf, T; Rosenberg, SH; Shoemaker, AR; Tomaselli, KJ; Zou, H; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13173&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11395933 46513585 ZINC13581847 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23680 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)Oc1ccccc1)C(C)(C)C InChI=1S/C31H42N4O4/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-23(39-22-14-7-6-8-15-22)18-26(35)29(37)33-25-17-11-13-21-12-9-10-16-24(21)25/h6-10,12,14-16,20,23,25-27,32H,11,13,17-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23-,25+,26-,27+/m0/s1 QKPXPZYQPBWDHS-MCJAPYMPSA-N 13174 (2S,4S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-4-phenoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide::Capped Tripeptide Analog 10::H-N-Me-Ala-Tle-(4S)-4-phenoxy-Pro-(R)-tetrahydronaphth-1-yl Amide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 5 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm040037k 10.7270/Q27M065Q 15317454 aid1796999 Oost, TK; Sun, C; Armstrong, RC; Al-Assaad, AS; Betz, SF; Deckwerth, TL; Ding, H; Elmore, SW; Meadows, RP; Olejniczak, ET; Oleksijew, A; Oltersdorf, T; Rosenberg, SH; Shoemaker, AR; Tomaselli, KJ; Zou, H; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13174&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 997 1TFT 5388929 46513586 DB04612 ZINC14881281 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23681 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C27H40N4O3/c1-18(28-2)25(32)30-24(20-11-4-3-5-12-20)27(34)31-17-9-16-23(31)26(33)29-22-15-8-13-19-10-6-7-14-21(19)22/h6-7,10,14,18,20,22-24,28H,3-5,8-9,11-13,15-17H2,1-2H3,(H,29,33)(H,30,32)/t18-,22+,23-,24-/m0/s1 NJUHOYLCAHNNLJ-QODFHFCMSA-N 13175 (2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide::Capped Tripeptide Analog 11::H-N-Me-Ala-Chg-Pro-(R)-tetrahydronaphth-1-yl Amide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 16 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm040037k 10.7270/Q27M065Q 15317454 aid1796999 Oost, TK; Sun, C; Armstrong, RC; Al-Assaad, AS; Betz, SF; Deckwerth, TL; Ding, H; Elmore, SW; Meadows, RP; Olejniczak, ET; Oleksijew, A; Oltersdorf, T; Rosenberg, SH; Shoemaker, AR; Tomaselli, KJ; Zou, H; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13175&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 6918762 46513587 ZINC03960062 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23682 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)Oc1ccccc1 InChI=1S/C33H44N4O4/c1-22(34-2)31(38)36-30(24-13-5-3-6-14-24)33(40)37-21-26(41-25-16-7-4-8-17-25)20-29(37)32(39)35-28-19-11-15-23-12-9-10-18-27(23)28/h4,7-10,12,16-18,22,24,26,28-30,34H,3,5-6,11,13-15,19-21H2,1-2H3,(H,35,39)(H,36,38)/t22-,26-,28+,29-,30-/m0/s1 GUOVHJVNYPRNQS-SHUILBLCSA-N 13176 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-4-phenoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide::Capped Tripeptide Analog 12::H-N-Me-Ala-Chg-(4S)-4-phenoxy-Pro-(R)-tetrahydronaphth-1-yl Amide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 6 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm040037k 10.7270/Q27M065Q 15317454 aid1796999 Oost, TK; Sun, C; Armstrong, RC; Al-Assaad, AS; Betz, SF; Deckwerth, TL; Ding, H; Elmore, SW; Meadows, RP; Olejniczak, ET; Oleksijew, A; Oltersdorf, T; Rosenberg, SH; Shoemaker, AR; Tomaselli, KJ; Zou, H; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13176&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11307508 46513588 ZINC14951912 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23683 C[C@H](N(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C InChI=1S/C26H40N4O3/c1-17(29(5)6)23(31)28-22(26(2,3)4)25(33)30-16-10-15-21(30)24(32)27-20-14-9-12-18-11-7-8-13-19(18)20/h7-8,11,13,17,20-22H,9-10,12,14-16H2,1-6H3,(H,27,32)(H,28,31)/t17-,20+,21-,22+/m0/s1 HIHPOLCVAWABTN-KVJIRVJXSA-N 13177 (2S)-1-[(2S)-2-[(2S)-2-(dimethylamino)propanamido]-3,3-dimethylbutanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide::Capped Tripeptide Analog 13 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >1000 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm040037k 10.7270/Q27M065Q 15317454 aid1796999 Oost, TK; Sun, C; Armstrong, RC; Al-Assaad, AS; Betz, SF; Deckwerth, TL; Ding, H; Elmore, SW; Meadows, RP; Olejniczak, ET; Oleksijew, A; Oltersdorf, T; Rosenberg, SH; Shoemaker, AR; Tomaselli, KJ; Zou, H; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13177&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11282499 46513589 ZINC13581849 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23684 C[C@H](N(C)C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)Oc1ccccc1)C(C)(C)C InChI=1S/C32H44N4O4/c1-21(35(5)6)29(37)34-28(32(2,3)4)31(39)36-20-24(40-23-15-8-7-9-16-23)19-27(36)30(38)33-26-18-12-14-22-13-10-11-17-25(22)26/h7-11,13,15-17,21,24,26-28H,12,14,18-20H2,1-6H3,(H,33,38)(H,34,37)/t21-,24-,26+,27-,28+/m0/s1 BUZJMOVADKEUOX-PQHTXYTPSA-N 13178 (2S,4S)-1-[(2S)-2-[(2S)-2-(dimethylamino)propanamido]-3,3-dimethylbutanoyl]-4-phenoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide::Capped Tripeptide Analog 14::H-N,N-Me2-Ala-Tle-(4S)-4-phenoxy-Pro-(R)-tetrahydronaphth-1-yl Amide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >1000 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm040037k 10.7270/Q27M065Q 15317454 aid1796999 Oost, TK; Sun, C; Armstrong, RC; Al-Assaad, AS; Betz, SF; Deckwerth, TL; Ding, H; Elmore, SW; Meadows, RP; Olejniczak, ET; Oleksijew, A; Oltersdorf, T; Rosenberg, SH; Shoemaker, AR; Tomaselli, KJ; Zou, H; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13178&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11432796 46513590 ZINC14951919 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23685 C[C@H](N(C)C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C28H42N4O3/c1-19(31(2)3)26(33)30-25(21-12-5-4-6-13-21)28(35)32-18-10-17-24(32)27(34)29-23-16-9-14-20-11-7-8-15-22(20)23/h7-8,11,15,19,21,23-25H,4-6,9-10,12-14,16-18H2,1-3H3,(H,29,34)(H,30,33)/t19-,23+,24-,25-/m0/s1 PMBQJHSGBORKGP-CTZQYXLCSA-N 13179 (2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(dimethylamino)propanamido]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide::Capped Tripeptide Analog 15::H-N,N-Me2-Ala-Chg-Pro-(R)-tetrahydronaphth-1-yl Amide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >1000 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm040037k 10.7270/Q27M065Q 15317454 aid1796999 Oost, TK; Sun, C; Armstrong, RC; Al-Assaad, AS; Betz, SF; Deckwerth, TL; Ding, H; Elmore, SW; Meadows, RP; Olejniczak, ET; Oleksijew, A; Oltersdorf, T; Rosenberg, SH; Shoemaker, AR; Tomaselli, KJ; Zou, H; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13179 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13179&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11329163 46513591 ZINC13581852 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23686 CN[C@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)C(C)(C)C InChI=1S/C25H38N4O3/c1-16(26-5)22(30)28-21(25(2,3)4)24(32)29-15-9-14-20(29)23(31)27-19-13-8-11-17-10-6-7-12-18(17)19/h6-7,10,12,16,19-21,26H,8-9,11,13-15H2,1-5H3,(H,27,31)(H,28,30)/t16-,19-,20+,21-/m1/s1 JUJIMRZGUBTJRV-RZXSNQJFSA-N 13180 (2S)-1-[(2S)-3,3-dimethyl-2-[(2R)-2-(methylamino)propanamido]butanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide::Capped Tripeptide Analog 16 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >1000 7.4 22.00 C Curated from the literature by BindingDB 10.1021/jm040037k 10.7270/Q27M065Q 15317454 aid1796999 Oost, TK; Sun, C; Armstrong, RC; Al-Assaad, AS; Betz, SF; Deckwerth, TL; Ding, H; Elmore, SW; Meadows, RP; Olejniczak, ET; Oleksijew, A; Oltersdorf, T; Rosenberg, SH; Shoemaker, AR; Tomaselli, KJ; Zou, H; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13180 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13180&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11351234 46513592 ZINC13581855 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23687 C[C@H](N)C(=O)Nc1ccc2c(C)cc(C)nc2n1 InChI=1S/C13H16N4O/c1-7-6-8(2)15-12-10(7)4-5-11(16-12)17-13(18)9(3)14/h4-6,9H,14H2,1-3H3,(H,15,16,17,18)/t9-/m0/s1 NEVIWLQURZYMJU-VIFPVBQESA-N 13181 (2S)-2-amino-N-(5,7-dimethyl-1,8-naphthyridin-2-yl)propanamide::SMAC mimetic compound 8 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 20000 7.4 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13181&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646344 46513593 C03803 ZINC14951924 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23688 CCCCOc1ccc(cc1)-c1nnc(NC(=O)[C@H](C)N)s1 InChI=1S/C15H20N4O2S/c1-3-4-9-21-12-7-5-11(6-8-12)14-18-19-15(22-14)17-13(20)10(2)16/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,19,20)/t10-/m0/s1 CRVHHAASFSZKST-JTQLQIEISA-N 13182 (2S)-2-amino-N-[5-(4-butoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide::SMAC mimetic compound 9 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 25000 7.4 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13182&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646345 46513594 C03803 ZINC14951931 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23689 C[C@H](N)C(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1 InChI=1S/C17H16N4O2/c1-10(18)16(23)21-17-19-13-8-7-12(9-14(13)20-17)15(22)11-5-3-2-4-6-11/h2-10H,18H2,1H3,(H2,19,20,21,23)/t10-/m0/s1 FEWJFTGPRLQQMU-JTQLQIEISA-N 13183 (2S)-2-amino-N-(5-benzoyl-1H-1,3-benzodiazol-2-yl)propanamide::SMAC mimetic compound 10 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 30000 7.4 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13183&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646346 46513595 C03803 ZINC14951935 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23690 C[C@H](N)C(=O)Nc1nc(cs1)-c1ccc(Cl)c(C)c1 InChI=1S/C13H14ClN3OS/c1-7-5-9(3-4-10(7)14)11-6-19-13(16-11)17-12(18)8(2)15/h3-6,8H,15H2,1-2H3,(H,16,17,18)/t8-/m0/s1 ZNBPSBVGOOQAMX-QMMMGPOBSA-N 13184 (2S)-2-amino-N-[4-(4-chloro-3-methylphenyl)-1,3-thiazol-2-yl]propanamide::SMAC mimetic compound 11 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 30000 7.4 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13184&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23644673 46509419 C03803 ZINC14951939 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23691 C[C@H](N)C(=O)Nc1nc(C)c(Cc2c(C)cc(C)cc2C)[nH]1 InChI=1S/C17H24N4O/c1-9-6-10(2)14(11(3)7-9)8-15-13(5)19-17(20-15)21-16(22)12(4)18/h6-7,12H,8,18H2,1-5H3,(H2,19,20,21,22)/t12-/m0/s1 HAPAZDKFFVFQSG-LBPRGKRZSA-N 13185 (2S)-2-amino-N-{5-methyl-4-[(2,4,6-trimethylphenyl)methyl]-1H-imidazol-2-yl}propanamide::SMAC mimetic compound 12 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 2000 7.4 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13185&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646347 46513596 C03803 ZINC14951945 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23692 C[C@H](N)C(=O)Nc1nc(c(C)s1)-c1ccccc1 InChI=1S/C13H15N3OS/c1-8(14)12(17)16-13-15-11(9(2)18-13)10-6-4-3-5-7-10/h3-8H,14H2,1-2H3,(H,15,16,17)/t8-/m0/s1 YBJRXGCOAGWFHV-QMMMGPOBSA-N 13186 (2S)-2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide::SMAC mimetic compound 13 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 15000 7.4 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13186&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646348 46513597 C03803 ZINC14951948 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23693 C[C@H](N)C(=O)Nc1nc(c(s1)C(C)(C)C)-c1ccccc1 InChI=1S/C16H21N3OS/c1-10(17)14(20)19-15-18-12(11-8-6-5-7-9-11)13(21-15)16(2,3)4/h5-10H,17H2,1-4H3,(H,18,19,20)/t10-/m0/s1 YDKNXEHODDDSPQ-JTQLQIEISA-N 13187 (2S)-2-amino-N-(5-tert-butyl-4-phenyl-1,3-thiazol-2-yl)propanamide::SMAC mimetic compound 20d E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 4800 Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13187&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646349 46513598 C03803 ZINC14951952 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23694 C[C@H](N)C(=O)Nc1nc(C)c(s1)-c1ccccc1 InChI=1S/C13H15N3OS/c1-8(14)12(17)16-13-15-9(2)11(18-13)10-6-4-3-5-7-10/h3-8H,14H2,1-2H3,(H,15,16,17)/t8-/m0/s1 DKYHCWLDOYLCBN-QMMMGPOBSA-N 13188 (2S)-2-amino-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)propanamide::SMAC mimetic compound 20e E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 15000 Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13188&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646350 46513599 C03803 ZINC14951956 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23695 C[C@H](N)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccccc1 InChI=1S/C18H17N3OS/c1-12(19)17(22)21-18-20-15(13-8-4-2-5-9-13)16(23-18)14-10-6-3-7-11-14/h2-12H,19H2,1H3,(H,20,21,22)/t12-/m0/s1 ACAHAYSKCDTFST-LBPRGKRZSA-N 13189 (2S)-2-amino-N-(4,5-diphenyl-1,3-thiazol-2-yl)propanamide::SMAC mimetic compound 20f E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1100 Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13189&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646351 46513600 C03803 ZINC14951961 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23696 C[C@H](N)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccc(Br)cc1 InChI=1S/C18H16BrN3OS/c1-11(20)17(23)22-18-21-15(12-7-9-14(19)10-8-12)16(24-18)13-5-3-2-4-6-13/h2-11H,20H2,1H3,(H,21,22,23)/t11-/m0/s1 LETBSEIOGAQYDW-NSHDSACASA-N 13190 (2S)-2-amino-N-[4-(4-bromophenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide::SMAC mimetic compound 20g E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 740 Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13190&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11429547 46513601 C03803 ZINC14951966 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23697 C[C@H](N)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccc(Cc2ccccc2)cc1 InChI=1S/C25H23N3OS/c1-17(26)24(29)28-25-27-22(23(30-25)21-10-6-3-7-11-21)20-14-12-19(13-15-20)16-18-8-4-2-5-9-18/h2-15,17H,16,26H2,1H3,(H,27,28,29)/t17-/m0/s1 NOAPVKQSSCRBKE-KRWDZBQOSA-N 13191 (2S)-2-amino-N-[4-(4-benzylphenyl)-5-phenyl-1,3-thiazol-2-yl]propanamide::SMAC mimetic compound 20h E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1200 Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13191&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646352 46513602 C03803 ZINC14951971 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23698 C[C@H](N)C(=O)Nc1nc(c(Cc2ccccc2)s1)-c1cccc(Cc2ccccc2)c1 InChI=1S/C26H25N3OS/c1-18(27)25(30)29-26-28-24(23(31-26)17-20-11-6-3-7-12-20)22-14-8-13-21(16-22)15-19-9-4-2-5-10-19/h2-14,16,18H,15,17,27H2,1H3,(H,28,29,30)/t18-/m0/s1 KXYXQGCPKXXFTP-SFHVURJKSA-N 13192 (2S)-2-amino-N-[5-benzyl-4-(3-benzylphenyl)-1,3-thiazol-2-yl]propanamide::SMAC mimetic compound 20i E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >100000 Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13192&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646353 46513603 C03803 ZINC14951976 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23699 C[C@H](N)C(=O)Nc1nc(COc2ccccc2)c(Cc2ccccc2)s1 InChI=1S/C20H21N3O2S/c1-14(21)19(24)23-20-22-17(13-25-16-10-6-3-7-11-16)18(26-20)12-15-8-4-2-5-9-15/h2-11,14H,12-13,21H2,1H3,(H,22,23,24)/t14-/m0/s1 SNMREYXKHOXAHO-AWEZNQCLSA-N 13193 (2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide::SMAC mimetic compound 20j E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 4100 Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13193&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646354 46513604 C03803 ZINC14951980 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23700 C[C@H](N)C(=O)Nc1nc(COCc2ccccc2)c(Cc2ccccc2)s1 InChI=1S/C21H23N3O2S/c1-15(22)20(25)24-21-23-18(14-26-13-17-10-6-3-7-11-17)19(27-21)12-16-8-4-2-5-9-16/h2-11,15H,12-14,22H2,1H3,(H,23,24,25)/t15-/m0/s1 YBRWIUWQAJGHRM-HNNXBMFYSA-N 13194 (2S)-2-amino-N-{5-benzyl-4-[(benzyloxy)methyl]-1,3-thiazol-2-yl}propanamide::SMAC mimetic compound 20k E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 4100 Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13194&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646355 46513605 C03803 ZINC14951984 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23701 C[C@H](N)C(=O)Nc1nc(COc2cccc3ccccc23)c(Cc2ccccc2)s1 InChI=1S/C24H23N3O2S/c1-16(25)23(28)27-24-26-20(22(30-24)14-17-8-3-2-4-9-17)15-29-21-13-7-11-18-10-5-6-12-19(18)21/h2-13,16H,14-15,25H2,1H3,(H,26,27,28)/t16-/m0/s1 DHZMJXAYZVBSIS-INIZCTEOSA-N 13195 (2S)-2-amino-N-{5-benzyl-4-[(naphthalen-1-yloxy)methyl]-1,3-thiazol-2-yl}propanamide::SMAC mimetic compound 20l E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 21000 Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13195&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646356 46513606 C03803 ZINC14951989 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23702 C[C@H](N)C(=O)Nc1nc(COc2ccc3ccccc3c2)c(Cc2ccccc2)s1 InChI=1S/C24H23N3O2S/c1-16(25)23(28)27-24-26-21(22(30-24)13-17-7-3-2-4-8-17)15-29-20-12-11-18-9-5-6-10-19(18)14-20/h2-12,14,16H,13,15,25H2,1H3,(H,26,27,28)/t16-/m0/s1 MHHSJWQWIXSVDO-INIZCTEOSA-N 13196 (2S)-2-amino-N-{5-benzyl-4-[(naphthalen-2-yloxy)methyl]-1,3-thiazol-2-yl}propanamide::SMAC mimetic compound 20m E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 14000 Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13196&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646357 46513607 C03803 ZINC14951993 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23703 C[C@H](N)C(=O)Nc1nc(COC2Cc3ccccc3C2)c(Cc2ccccc2)s1 InChI=1S/C23H25N3O2S/c1-15(24)22(27)26-23-25-20(21(29-23)11-16-7-3-2-4-8-16)14-28-19-12-17-9-5-6-10-18(17)13-19/h2-10,15,19H,11-14,24H2,1H3,(H,25,26,27)/t15-/m0/s1 NJLCBCUEQWZJFS-HNNXBMFYSA-N 13197 (2S)-2-amino-N-{5-benzyl-4-[(2,3-dihydro-1H-inden-2-yloxy)methyl]-1,3-thiazol-2-yl}propanamide::SMAC mimetic compound 20n E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 22000 Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13197 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13197&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646358 46513608 C03803 ZINC14951998 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23704 C[C@H](N)C(=O)Nc1nc2c(ccc3ccccc23)s1 InChI=1S/C14H13N3OS/c1-8(15)13(18)17-14-16-12-10-5-3-2-4-9(10)6-7-11(12)19-14/h2-8H,15H2,1H3,(H,16,17,18)/t8-/m0/s1 POCGMBFIWVYGJC-QMMMGPOBSA-N 13198 (2S)-2-amino-N-{5-thia-3-azatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),3,7,9,11-hexaen-4-yl}propanamide::SMAC mimetic compound 20o E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 7100 Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13198 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13198&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646359 46513609 C03803 ZINC14952006 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23705 C[C@H](N)C(=O)Nc1nc-2c(CCc3ccccc-23)s1 InChI=1S/C14H15N3OS/c1-8(15)13(18)17-14-16-12-10-5-3-2-4-9(10)6-7-11(12)19-14/h2-5,8H,6-7,15H2,1H3,(H,16,17,18)/t8-/m0/s1 DILLNEYKYRQUAB-QMMMGPOBSA-N 13199 (2S)-2-amino-N-{5-thia-3-azatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),3,9,11-pentaen-4-yl}propanamide::SMAC mimetic compound 20p E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 5600 Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.010 10.7270/Q23T9FFF 15664855 aid1797000 Park, CM; Sun, C; Olejniczak, ET; Wilson, AE; Meadows, RP; Betz, SF; Elmore, SW; Fesik, SW Abbott Laboratories http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13199 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13199&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646360 46513610 C03803 ZINC14952012 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23706 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(N)=O InChI=1S/C19H35N5O4/c1-6-11(4)15(16(21)25)23-18(27)13-8-7-9-24(13)19(28)14(10(2)3)22-17(26)12(5)20/h10-15H,6-9,20H2,1-5H3,(H2,21,25)(H,22,26)(H,23,27)/t11-,12-,13-,14-,15-/m0/s1 JHPFUTHPFNABKY-YTFOTSKYSA-N 13200 (2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamide::Smac AVPI E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 580 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm0499108 10.7270/Q2028PSX 15293984 aid1797002 Sun, H; Nikolovska-Coleska, Z; Yang, CY; Xu, L; Tomita, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13200&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646361 46513611 C03803 ZINC13581519 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23707 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 InChI=1S/C20H30N4O3/c1-13(2)17(23-18(25)14(3)21)20(27)24-11-7-10-16(24)19(26)22-12-15-8-5-4-6-9-15/h4-6,8-9,13-14,16-17H,7,10-12,21H2,1-3H3,(H,22,26)(H,23,25)/t14-,16-,17-/m0/s1 RFCQRRDVLMEWMG-XIRDDKMYSA-N 13142 (2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-benzylpyrrolidine-2-carboxamide::JMC517169 Compound 1::Smac AVPI Mimetic 1::Smac peptido-mimetic 1 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 290 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm0499108 10.7270/Q2028PSX 15293984 aid1797002 Sun, H; Nikolovska-Coleska, Z; Yang, CY; Xu, L; Tomita, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13142&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11200722 46513555 C03803 ZINC38148356 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23708 C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 InChI=1S/C19H26N4O3/c1-12(20)17(24)22-15-9-7-14-8-10-16(23(14)19(15)26)18(25)21-11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11,20H2,1H3,(H,21,25)(H,22,24)/t12-,14-,15-,16-/m0/s1 HRYYDNAJRUXAJE-TUUVXOQKSA-N 13202 (3S,6S,8aS)-6-[(2S)-2-aminopropanamido]-N-benzyl-5-oxo-octahydroindolizine-3-carboxamide::Smac AVPI Mimetic 2 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 4470 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm0499108 10.7270/Q2028PSX 15293984 aid1797002 Sun, H; Nikolovska-Coleska, Z; Yang, CY; Xu, L; Tomita, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13202&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11326885 46513612 C03803 ZINC13581521 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23709 C[C@H](N)C(=O)N[C@H]1CC[C@@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 InChI=1S/C19H26N4O3/c1-12(20)17(24)22-15-9-7-14-8-10-16(23(14)19(15)26)18(25)21-11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11,20H2,1H3,(H,21,25)(H,22,24)/t12-,14+,15-,16-/m0/s1 HRYYDNAJRUXAJE-UKMLZYKCSA-N 13203 (3S,6S,8aR)-6-[(2S)-2-aminopropanamido]-N-benzyl-5-oxo-octahydroindolizine-3-carboxamide::Smac AVPI Mimetic 3 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >100000 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm0499108 10.7270/Q2028PSX 15293984 aid1797002 Sun, H; Nikolovska-Coleska, Z; Yang, CY; Xu, L; Tomita, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13203&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11280887 46513613 C03803 ZINC13581523 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23710 CC[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 InChI=1S/C20H28N4O3/c1-2-15(21)18(25)23-16-10-8-14-9-11-17(24(14)20(16)27)19(26)22-12-13-6-4-3-5-7-13/h3-7,14-17H,2,8-12,21H2,1H3,(H,22,26)(H,23,25)/t14-,15-,16-,17-/m0/s1 GKPMRGORHINVPF-QAETUUGQSA-N 13204 (3S,6S,8aS)-6-[(2S)-2-aminobutanamido]-N-benzyl-5-oxo-octahydroindolizine-3-carboxamide::JMC517169 Compound 6::Smac AVPI Mimetic 10a E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1410 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm0499108 10.7270/Q2028PSX 15293984 aid1797002 Sun, H; Nikolovska-Coleska, Z; Yang, CY; Xu, L; Tomita, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13204&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11440194 46513614 ZINC13581525 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23711 CCC[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 InChI=1S/C21H30N4O3/c1-2-6-16(22)19(26)24-17-11-9-15-10-12-18(25(15)21(17)28)20(27)23-13-14-7-4-3-5-8-14/h3-5,7-8,15-18H,2,6,9-13,22H2,1H3,(H,23,27)(H,24,26)/t15-,16-,17-,18-/m0/s1 SIHYEEZRRRKAID-XSLAGTTESA-N 13205 (3S,6S,8aS)-6-[(2S)-2-aminopentanamido]-N-benzyl-5-oxo-octahydroindolizine-3-carboxamide::JMC517169 Compound 7::Smac AVPI Mimetic 10b E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >100000 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm0499108 10.7270/Q2028PSX 15293984 aid1797002 Sun, H; Nikolovska-Coleska, Z; Yang, CY; Xu, L; Tomita, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13205&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11153398 46513615 ZINC13581526 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23712 CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 InChI=1S/C21H30N4O3/c1-13(2)18(22)20(27)24-16-10-8-15-9-11-17(25(15)21(16)28)19(26)23-12-14-6-4-3-5-7-14/h3-7,13,15-18H,8-12,22H2,1-2H3,(H,23,26)(H,24,27)/t15-,16-,17-,18-/m0/s1 QWLIXQAEMNLCQR-XSLAGTTESA-N 13206 (3S,6S,8aS)-6-[(2S)-2-amino-3-methylbutanamido]-N-benzyl-5-oxo-octahydroindolizine-3-carboxamide::JMC517169 Compound 8::Smac AVPI Mimetic 10c E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 43110 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm0499108 10.7270/Q2028PSX 15293984 aid1797002 Sun, H; Nikolovska-Coleska, Z; Yang, CY; Xu, L; Tomita, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13206&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11474659 46513616 ZINC13581528 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23713 C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)Nc1ccccc1 InChI=1S/C18H24N4O3/c1-11(19)16(23)21-14-9-7-13-8-10-15(22(13)18(14)25)17(24)20-12-5-3-2-4-6-12/h2-6,11,13-15H,7-10,19H2,1H3,(H,20,24)(H,21,23)/t11-,13-,14-,15-/m0/s1 XZLVUDTWCKTORR-MXAVVETBSA-N 13207 (3S,6S,8aS)-6-[(2S)-2-aminopropanamido]-5-oxo-N-phenyl-octahydroindolizine-3-carboxamide::Smac AVPI Mimetic 12a E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >100000 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm0499108 10.7270/Q2028PSX 15293984 aid1797002 Sun, H; Nikolovska-Coleska, Z; Yang, CY; Xu, L; Tomita, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13207&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11279382 46513617 C03803 ZINC13581530 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23714 C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCCc1ccccc1 InChI=1S/C20H28N4O3/c1-13(21)18(25)23-16-9-7-15-8-10-17(24(15)20(16)27)19(26)22-12-11-14-5-3-2-4-6-14/h2-6,13,15-17H,7-12,21H2,1H3,(H,22,26)(H,23,25)/t13-,15-,16-,17-/m0/s1 YTLXVGUAOHXKBQ-HJWJTTGWSA-N 13208 (3S,6S,8aS)-6-[(2S)-2-aminopropanamido]-5-oxo-N-(2-phenylethyl)-octahydroindolizine-3-carboxamide::Smac AVPI Mimetic 12b E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 22400 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm0499108 10.7270/Q2028PSX 15293984 aid1797002 Sun, H; Nikolovska-Coleska, Z; Yang, CY; Xu, L; Tomita, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13208&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11474224 46513618 C03803 ZINC13581532 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23715 C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C25H30N4O3/c1-16(26)23(30)27-20-14-12-19-13-15-21(29(19)25(20)32)24(31)28-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-22H,12-15,26H2,1H3,(H,27,30)(H,28,31)/t16-,19-,20-,21-/m0/s1 CDMWMGBMHRDILL-FIRPJDEBSA-N 13209 (3S,6S,8aS)-6-[(2S)-2-aminopropanamido]-N-(diphenylmethyl)-5-oxo-octahydroindolizine-3-carboxamide::JMC517169 Compound 9::Smac AVPI Mimetic 12c E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 2330 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm0499108 10.7270/Q2028PSX 15293984 aid1797002 Sun, H; Nikolovska-Coleska, Z; Yang, CY; Xu, L; Tomita, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13209&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11166423 46513619 C03803 ZINC13581534 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23716 CC[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C26H32N4O3/c1-2-20(27)24(31)28-21-15-13-19-14-16-22(30(19)26(21)33)25(32)29-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-23H,2,13-16,27H2,1H3,(H,28,31)(H,29,32)/t19-,20-,21-,22-/m0/s1 VWDMCRIMEONDMI-CMOCDZPBSA-N 13210 (3S,6S,8aS)-6-[(2S)-2-aminobutanamido]-N-(diphenylmethyl)-5-oxo-octahydroindolizine-3-carboxamide::JMC517169 Compound 10::Smac AVPI Mimetic 12d E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 350 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm0499108 10.7270/Q2028PSX 15293984 aid1797002 Sun, H; Nikolovska-Coleska, Z; Yang, CY; Xu, L; Tomita, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13210&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646362 46513620 ZINC13581536 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23717 CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C27H34N4O3/c1-2-21(28)25(32)29-22-15-9-14-20-16-17-23(31(20)27(22)34)26(33)30-24(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-24H,2,9,14-17,28H2,1H3,(H,29,32)(H,30,33)/t20-,21-,22-,23-/m0/s1 XWYMWLGPGRAJLM-MLCQCVOFSA-N 13211 (3S,6S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenylmethyl)-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::BMC175834 Compound 1a::JMB384673 Smac001::JMC517169 Compound 12::conformationally constrained Smac mimetic 1 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 25 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm061108d 10.7270/Q2VD6WPH 17181177 aid1797003 Sun, H; Nikolovska-Coleska, Z; Lu, J; Qiu, S; Yang, CY; Gao, W; Meagher, J; Stuckey, J; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13211&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11225031 46513621 ZINC14952019 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23718 CC[C@H](NC)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C28H36N4O3/c1-3-22(29-2)26(33)30-23-16-10-15-21-17-18-24(32(21)28(23)35)27(34)31-25(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21-25,29H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,22-,23-,24-/m0/s1 UKNQPDHAXSCGKL-ZJZGAYNASA-N 13212 (3S,6S,9aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylamino)butanamido]-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::(3S,6S,9aS)-N-benzhydryl-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::BMC175834 Compound 1b::JMC517169 Compound 13::JMC517352 Compound 1::SM-131::conformationally constrained Smac mimetic 2 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 61 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm061108d 10.7270/Q2VD6WPH 17181177 aid1797003 Sun, H; Nikolovska-Coleska, Z; Lu, J; Qiu, S; Yang, CY; Gao, W; Meagher, J; Stuckey, J; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13212&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11518553 46513622 ZINC14952024 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23719 CC[C@H](N(C)C)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C29H38N4O3/c1-4-24(32(2)3)27(34)30-23-17-11-16-22-18-19-25(33(22)29(23)36)28(35)31-26(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,22-26H,4,11,16-19H2,1-3H3,(H,30,34)(H,31,35)/t22-,23-,24-,25-/m0/s1 CKOYRIROPKBZLR-QORCZRPOSA-N 13213 (3S,6S,9aS)-6-[(2S)-2-(dimethylamino)butanamido]-N-(diphenylmethyl)-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::(3S,6S,9aS)-N-benzhydryl-6-{[(2S)-2-(dimethylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::JMC517169 Compound 14::conformationally constrained Smac mimetic 3 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 14400 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm061108d 10.7270/Q2VD6WPH 17181177 aid1797003 Sun, H; Nikolovska-Coleska, Z; Lu, J; Qiu, S; Yang, CY; Gao, W; Meagher, J; Stuckey, J; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13213&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11562245 46513623 ZINC14952029 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23720 C[C@H](O)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C26H31N3O4/c1-17(30)24(31)27-21-14-8-13-20-15-16-22(29(20)26(21)33)25(32)28-23(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,17,20-23,30H,8,13-16H2,1H3,(H,27,31)(H,28,32)/t17-,20-,21-,22-/m0/s1 BWLUJLRDIKFWLK-MQGJPIDWSA-N 13214 (3S,6S,9aS)-N-(diphenylmethyl)-6-[(2S)-2-hydroxypropanamido]-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::(3S,6S,9aS)-N-benzhydryl-6-{[(2S)-2-hydroxypropanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::conformationally constrained Smac mimetic 4 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 29000 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm061108d 10.7270/Q2VD6WPH 17181177 aid1797003 Sun, H; Nikolovska-Coleska, Z; Lu, J; Qiu, S; Yang, CY; Gao, W; Meagher, J; Stuckey, J; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13214&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 16099367 46513624 ZINC14952035 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23648 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 InChI=1S/C20H30N4O3/c1-13(2)17(23-18(25)14(3)21)20(27)24-11-7-10-16(24)19(26)22-12-15-8-5-4-6-9-15/h4-6,8-9,13-14,16-17H,7,10-12,21H2,1-3H3,(H,22,26)(H,23,25)/t14-,16-,17-/m0/s1 RFCQRRDVLMEWMG-XIRDDKMYSA-N 13142 (2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-benzylpyrrolidine-2-carboxamide::JMC517169 Compound 1::Smac AVPI Mimetic 1::Smac peptido-mimetic 1 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 290 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.008 10.7270/Q2H41PP8 15664859 aid1796997 Sun, H; Nikolovska-Coleska, Z; Chen, J; Yang, CY; Tomita, Y; Pan, H; Yoshioka, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13142&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11200722 46513555 C03803 ZINC38148356 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23649 CC(C)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C InChI=1S/C17H32N4O3/c1-10(2)9-19-16(23)13-7-6-8-21(13)17(24)14(11(3)4)20-15(22)12(5)18/h10-14H,6-9,18H2,1-5H3,(H,19,23)(H,20,22)/t12-,13-,14-/m0/s1 TWHNXFZXAMDVAL-IHRRRGAJSA-N 13143 (2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(2-methylpropyl)pyrrolidine-2-carboxamide::Smac peptido-mimetic 6a E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 13400 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.008 10.7270/Q2H41PP8 15664859 aid1796997 Sun, H; Nikolovska-Coleska, Z; Chen, J; Yang, CY; Tomita, Y; Pan, H; Yoshioka, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13143&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11450670 46513556 C03803 ZINC14951804 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23650 CCC(CC)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C InChI=1S/C19H36N4O3/c1-6-14(7-2)11-21-18(25)15-9-8-10-23(15)19(26)16(12(3)4)22-17(24)13(5)20/h12-16H,6-11,20H2,1-5H3,(H,21,25)(H,22,24)/t13-,15-,16-/m0/s1 XEUNZZQOODTMLJ-BPUTZDHNSA-N 13144 (2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(2-ethylbutyl)pyrrolidine-2-carboxamide::Smac peptido-mimetic 6b E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 24500 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.008 10.7270/Q2H41PP8 15664859 aid1796997 Sun, H; Nikolovska-Coleska, Z; Chen, J; Yang, CY; Tomita, Y; Pan, H; Yoshioka, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13144&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11417324 46513557 C03803 ZINC14951809 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23651 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC1CC1 InChI=1S/C17H30N4O3/c1-10(2)14(20-15(22)11(3)18)17(24)21-8-4-5-13(21)16(23)19-9-12-6-7-12/h10-14H,4-9,18H2,1-3H3,(H,19,23)(H,20,22)/t11-,13-,14-/m0/s1 AVVAGMSMAIELCX-UBHSHLNASA-N 13145 (2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide::Smac peptido-mimetic 6c E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 4410 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.008 10.7270/Q2H41PP8 15664859 aid1796997 Sun, H; Nikolovska-Coleska, Z; Chen, J; Yang, CY; Tomita, Y; Pan, H; Yoshioka, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13145&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11151918 46513558 C03803 ZINC14951813 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23652 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC1CCCCC1 InChI=1S/C20H36N4O3/c1-13(2)17(23-18(25)14(3)21)20(27)24-11-7-10-16(24)19(26)22-12-15-8-5-4-6-9-15/h13-17H,4-12,21H2,1-3H3,(H,22,26)(H,23,25)/t14-,16-,17-/m0/s1 UETWNTWJPLMFAF-XIRDDKMYSA-N 13146 (2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide::Smac peptido-mimetic 6d E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1270 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.008 10.7270/Q2H41PP8 15664859 aid1796997 Sun, H; Nikolovska-Coleska, Z; Chen, J; Yang, CY; Tomita, Y; Pan, H; Yoshioka, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13146&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11176463 46513559 C03803 ZINC14951816 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23653 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccco1 InChI=1S/C18H28N4O4/c1-11(2)15(21-16(23)12(3)19)18(25)22-8-4-7-14(22)17(24)20-10-13-6-5-9-26-13/h5-6,9,11-12,14-15H,4,7-8,10,19H2,1-3H3,(H,20,24)(H,21,23)/t12-,14-,15-/m0/s1 ZGNDYHOBUNOWJQ-QEJZJMRPSA-N 13147 (2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide::Smac peptido-mimetic 6e E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 220 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.008 10.7270/Q2H41PP8 15664859 aid1796997 Sun, H; Nikolovska-Coleska, Z; Chen, J; Yang, CY; Tomita, Y; Pan, H; Yoshioka, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13147&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11475093 46513560 C03803 ZINC14951821 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 23654 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1cccs1 InChI=1S/C18H28N4O3S/c1-11(2)15(21-16(23)12(3)19)18(25)22-8-4-7-14(22)17(24)20-10-13-6-5-9-26-13/h5-6,9,11-12,14-15H,4,7-8,10,19H2,1-3H3,(H,20,24)(H,21,23)/t12-,14-,15-/m0/s1 OCEUKYZNIXMBLL-QEJZJMRPSA-N 13148 (2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide::Smac peptido-mimetic 6f E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 180 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.bmcl.2004.11.008 10.7270/Q2H41PP8 15664859 aid1796997 Sun, H; Nikolovska-Coleska, Z; Chen, J; Yang, CY; Tomita, Y; Pan, H; Yoshioka, Y; Krajewski, K; Roller, PP; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13148&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11258581 46513561 C03803 ZINC14951827 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 31330 C[C@H](N)c1nc(co1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C20H24N4O5/c1-12(21)18-23-15(11-29-18)19(26)24-9-5-8-16(24)17(25)22-14(20(27)28)10-13-6-3-2-4-7-13/h2-4,6-7,11-12,14,16H,5,8-10,21H2,1H3,(H,22,25)(H,27,28)/t12-,14-,16-/m0/s1 VRDFPFPJEZNFKH-NOLJZWGESA-N 17336 (2S)-2-{[(2S)-1-({2-[(1S)-1-aminoethyl]-1,3-oxazol-4-yl}carbonyl)pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid::AoxSPF E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 11000 7 22.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2007.02.010 10.7270/Q2KS6PT4 17336535 aid1797622 Wist, AD; Gu, L; Riedl, SJ; Shi, Y; McLendon, GL Princeton University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17336&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23647736 46517513 ZINC14964004 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 31331 C[C@H](N)c1nc(co1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C22H25N5O5/c1-12(23)20-26-17(11-32-20)21(29)27-8-4-7-18(27)19(28)25-16(22(30)31)9-13-10-24-15-6-3-2-5-14(13)15/h2-3,5-6,10-12,16,18,24H,4,7-9,23H2,1H3,(H,25,28)(H,30,31)/t12-,16-,18-/m0/s1 FBRCDLGEWAXPMI-IWEFOYFVSA-N 17338 (2S)-2-{[(2S)-1-({2-[(1S)-1-aminoethyl]-1,3-oxazol-4-yl}carbonyl)pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid::AoxSPW E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 30000 7 22.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2007.02.010 10.7270/Q2KS6PT4 17336535 aid1797622 Wist, AD; Gu, L; Riedl, SJ; Shi, Y; McLendon, GL Princeton University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17338&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search CO9 2OPY 15991584 46517514 ZINC14964026 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 31332 C[C@H](N)c1nc(co1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O InChI=1S/C20H24N4O6/c1-11(21)18-23-15(10-30-18)19(27)24-8-2-3-16(24)17(26)22-14(20(28)29)9-12-4-6-13(25)7-5-12/h4-7,10-11,14,16,25H,2-3,8-9,21H2,1H3,(H,22,26)(H,28,29)/t11-,14-,16-/m0/s1 BODQOOUNYXVFCW-PJODQICGSA-N 17339 (2S)-2-{[(2S)-1-({2-[(1S)-1-aminoethyl]-1,3-oxazol-4-yl}carbonyl)pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid::AoxSPY E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 120000 7 22.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2007.02.010 10.7270/Q2KS6PT4 17336535 aid1797622 Wist, AD; Gu, L; Riedl, SJ; Shi, Y; McLendon, GL Princeton University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17339&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23647737 46517515 ZINC14964030 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 31333 CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1coc(n1)[C@H](C)N)C(O)=O InChI=1S/C17H26N4O5/c1-4-9(2)13(17(24)25)20-14(22)12-6-5-7-21(12)16(23)11-8-26-15(19-11)10(3)18/h8-10,12-13H,4-7,18H2,1-3H3,(H,20,22)(H,24,25)/t9-,10+,12+,13+/m1/s1 SUQGGVCQFAQUEH-URBCHYCLSA-N 17340 (2S,3R)-2-{[(2S)-1-({2-[(1S)-1-aminoethyl]-1,3-oxazol-4-yl}carbonyl)pyrrolidin-2-yl]formamido}-3-methylpentanoic acid::AoxSPI E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 300000 7 22.00 C Curated from the literature by BindingDB 10.1016/j.bmc.2007.02.010 10.7270/Q2KS6PT4 17336535 aid1797622 Wist, AD; Gu, L; Riedl, SJ; Shi, Y; McLendon, GL Princeton University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17340&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23647738 46517516 ZINC14964034 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 31334 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C41H71N11O14/c1-7-21(4)32(51-38(62)28-12-10-18-52(28)40(64)31(20(2)3)50-33(57)22(5)43)39(63)45-23(6)34(58)46-25(13-15-29(44)54)36(60)47-24(11-8-9-17-42)35(59)49-27(19-53)37(61)48-26(41(65)66)14-16-30(55)56/h20-28,31-32,53H,7-19,42-43H2,1-6H3,(H2,44,54)(H,45,63)(H,46,58)(H,47,60)(H,48,61)(H,49,59)(H,50,57)(H,51,62)(H,55,56)(H,65,66)/t21-,22-,23-,24-,25-,26-,27-,28-,31-,32-/m0/s1 KOTUIJBXPGUBTH-GDVWXNPYSA-N 17341 (2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]propanamido]pentanediamido]hexanamido]-3-hydroxypropanamido]pentanedioic acid::AVPIAQKSE::L-alanyl-L-valyl-L-prolyl-L-isoleucyl-L-alanyl-L-glutaminyl-L-lysyl-L-seryl-L-glutamic acid E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 670 7.2 22.00 C Curated from the literature by BindingDB 10.1021/cb600276q 10.7270/Q2G15Z34 17168540 aid1797623 Zobel, K; Wang, L; Varfolomeev, E; Franklin, MC; Elliott, LO; Wallweber, HJ; Okawa, DC; Flygare, JA; Vucic, D; Fairbrother, WJ; Deshayes, K Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17341&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 1OXQ,1TW6 5496538 46517517 C03803 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 31335 CCC(C)[C@H](NC(=O)CN1CCCC[C@H](NC(=O)[C@H](C)N)C1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C39H67N11O14/c1-5-20(2)31(49-29(53)18-50-17-9-7-11-25(38(50)62)46-32(56)21(3)41)37(61)43-22(4)33(57)44-24(12-14-28(42)52)35(59)45-23(10-6-8-16-40)34(58)48-27(19-51)36(60)47-26(39(63)64)13-15-30(54)55/h20-27,31,51H,5-19,40-41H2,1-4H3,(H2,42,52)(H,43,61)(H,44,57)(H,45,59)(H,46,56)(H,47,60)(H,48,58)(H,49,53)(H,54,55)(H,63,64)/t20?,21-,22-,23-,24-,25-,26-,27-,31-/m0/s1 IERYRAUCKGJTSH-SDKDHMQSSA-N 17343 (2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{1-[(3S)-3-[(2S)-2-aminopropanamido]-2-oxoazepan-1-yl]acetamido}-3-methylpentanamido]propanamido]pentanediamido]hexanamido]-3-hydroxypropanamido]pentanedioic acid::Smac-derived compound, 2 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 39800 7.2 22.00 C Curated from the literature by BindingDB 10.1021/cb600276q 10.7270/Q2G15Z34 17168540 aid1797623 Zobel, K; Wang, L; Varfolomeev, E; Franklin, MC; Elliott, LO; Wallweber, HJ; Okawa, DC; Flygare, JA; Vucic, D; Fairbrother, WJ; Deshayes, K Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17343&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23647739 46517518 C03803 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 31336 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O InChI=1S/C24H33N5O5/c1-13(2)20(28-21(30)14(3)25)23(32)29-10-6-9-19(29)22(31)27-18(24(33)34)11-15-12-26-17-8-5-4-7-16(15)17/h4-5,7-8,12-14,18-20,26H,6,9-11,25H2,1-3H3,(H,27,31)(H,28,30)(H,33,34)/t14-,18-,19-,20-/m0/s1 OFKRVBJQENVJEB-DSYPUSFNSA-N 17344 (2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid::AVPW::L-alanyl-L-valyl-L-prolyl-L-tryptophan E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 50 7.2 22.00 C Curated from the literature by BindingDB 10.1021/cb600276q 10.7270/Q2G15Z34 17168540 aid1797623 Zobel, K; Wang, L; Varfolomeev, E; Franklin, MC; Elliott, LO; Wallweber, HJ; Okawa, DC; Flygare, JA; Vucic, D; Fairbrother, WJ; Deshayes, K Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17344&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 2I3H 9549245 46517519 C03803 ZINC14964038 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 31337 CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2SC(C)(C)[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1 InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20+,21+/m0/s1 RBLGKKZTMVKMNE-XIGKFDRGSA-N 17345 (3R,6S,9aR)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-octahydroazepino[2,1-b][1,3]thiazole-3-carboxamide::peptide isostere, 8 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 770 7.2 22.00 C Curated from the literature by BindingDB 10.1021/cb600276q 10.7270/Q2G15Z34 17168540 aid1797623 Zobel, K; Wang, L; Varfolomeev, E; Franklin, MC; Elliott, LO; Wallweber, HJ; Okawa, DC; Flygare, JA; Vucic, D; Fairbrother, WJ; Deshayes, K Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17345&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 2I3I 23647740 46517520 ZINC14964042 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 31338 CN[C@@H](C)C(=O)N[C@H]1CCC[C@@H]2SC(C)(C)[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1 InChI=1S/C25H34N6O3S/c1-15-14-19(31(29-15)17-10-7-6-8-11-17)28-23(33)21-25(3,4)35-20-13-9-12-18(24(34)30(20)21)27-22(32)16(2)26-5/h6-8,10-11,14,16,18,20-21,26H,9,12-13H2,1-5H3,(H,27,32)(H,28,33)/t16-,18-,20-,21+/m0/s1 RBLGKKZTMVKMNE-BVPXEZJJSA-N 17346 (3R,6S,9aS)-2,2-dimethyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-octahydroazepino[2,1-b][1,3]thiazole-3-carboxamide::peptide isostere, 9 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 2340 7.2 22.00 C Curated from the literature by BindingDB 10.1021/cb600276q 10.7270/Q2G15Z34 17168540 aid1797623 Zobel, K; Wang, L; Varfolomeev, E; Franklin, MC; Elliott, LO; Wallweber, HJ; Okawa, DC; Flygare, JA; Vucic, D; Fairbrother, WJ; Deshayes, K Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17346&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23647741 46517521 ZINC14964046 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 31339 CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2SC[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1 InChI=1S/C23H30N6O3S/c1-14-12-19(29(27-14)16-8-5-4-6-9-16)26-22(31)18-13-33-20-11-7-10-17(23(32)28(18)20)25-21(30)15(2)24-3/h4-6,8-9,12,15,17-18,20,24H,7,10-11,13H2,1-3H3,(H,25,30)(H,26,31)/t15-,17-,18-,20+/m0/s1 YYBUDMKKCZIZQP-TXJVSEOTSA-N 17347 (3R,6S,9aR)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-octahydroazepino[2,1-b][1,3]thiazole-3-carboxamide::peptide isostere, 10 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 270 7.2 22.00 C Curated from the literature by BindingDB 10.1021/cb600276q 10.7270/Q2G15Z34 17168540 aid1797623 Zobel, K; Wang, L; Varfolomeev, E; Franklin, MC; Elliott, LO; Wallweber, HJ; Okawa, DC; Flygare, JA; Vucic, D; Fairbrother, WJ; Deshayes, K Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17347&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23647742 46517522 ZINC14964050 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 31340 CN[C@@H](C)C(=O)N[C@H]1CCC[C@@H]2SC[C@H](N2C1=O)C(=O)Nc1cc(C)nn1-c1ccccc1 InChI=1S/C23H30N6O3S/c1-14-12-19(29(27-14)16-8-5-4-6-9-16)26-22(31)18-13-33-20-11-7-10-17(23(32)28(18)20)25-21(30)15(2)24-3/h4-6,8-9,12,15,17-18,20,24H,7,10-11,13H2,1-3H3,(H,25,30)(H,26,31)/t15-,17-,18-,20-/m0/s1 YYBUDMKKCZIZQP-CAIZAGQASA-N 17348 (3R,6S,9aS)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-octahydroazepino[2,1-b][1,3]thiazole-3-carboxamide::peptide isostere, 11 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 3000 7.2 22.00 C Curated from the literature by BindingDB 10.1021/cb600276q 10.7270/Q2G15Z34 17168540 aid1797623 Zobel, K; Wang, L; Varfolomeev, E; Franklin, MC; Elliott, LO; Wallweber, HJ; Okawa, DC; Flygare, JA; Vucic, D; Fairbrother, WJ; Deshayes, K Genentech http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=17348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=17348&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23647743 46517523 ZINC14964054 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47681 CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C27H34N4O3/c1-2-21(28)25(32)29-22-15-9-14-20-16-17-23(31(20)27(22)34)26(33)30-24(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-24H,2,9,14-17,28H2,1H3,(H,29,32)(H,30,33)/t20-,21-,22-,23-/m0/s1 XWYMWLGPGRAJLM-MLCQCVOFSA-N 13211 (3S,6S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenylmethyl)-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::BMC175834 Compound 1a::JMB384673 Smac001::JMC517169 Compound 12::conformationally constrained Smac mimetic 1 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 420 460 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.09.064 10.7270/Q2NG4NZ8 18851976 aid1798647 Mastrangelo, E; Cossu, F; Milani, M; Sorrentino, G; Lecis, D; Delia, D; Manzoni, L; Drago, C; Seneci, P; Scolastico, C; Rizzo, V; Bolognesi, M University of Milano http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13211&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11225031 46513621 ZINC14952019 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47682 CC[C@H](N)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C28H36N4O4/c1-2-22(29)26(34)31-25-20(17-33)13-14-21-15-16-23(32(21)28(25)36)27(35)30-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25,33H,2,13-17,29H2,1H3,(H,30,35)(H,31,34)/t20-,21+,22+,23+,25+/m1/s1 WXYVFFGXHFXTLU-FCRIMTMASA-N 26203 (3S,6S,7S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::BMC175834 Compound 3a::Smac005 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 250 270 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.09.064 10.7270/Q2NG4NZ8 18851976 aid1798647 Mastrangelo, E; Cossu, F; Milani, M; Sorrentino, G; Lecis, D; Delia, D; Manzoni, L; Drago, C; Seneci, P; Scolastico, C; Rizzo, V; Bolognesi, M University of Milano http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26203&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search X22 3CM7,3CLX 25011737 56464640 ZINC39090749 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47683 CC[C@H](N)C(=O)N[C@H]1[C@@H](CN)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C28H37N5O3/c1-2-22(30)26(34)32-25-20(17-29)13-14-21-15-16-23(33(21)28(25)36)27(35)31-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25H,2,13-17,29-30H2,1H3,(H,31,35)(H,32,34)/t20-,21+,22+,23+,25+/m1/s1 XXJHZERDDCOFPK-FCRIMTMASA-N 26204 (3S,6S,7R,9aS)-6-[(2S)-2-aminobutanamido]-7-(aminomethyl)-N-(diphenylmethyl)-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::BMC175834 Compound 4a::Smac010 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 870 970 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.09.064 10.7270/Q2NG4NZ8 18851976 aid1798647 Mastrangelo, E; Cossu, F; Milani, M; Sorrentino, G; Lecis, D; Delia, D; Manzoni, L; Drago, C; Seneci, P; Scolastico, C; Rizzo, V; Bolognesi, M University of Milano http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26204&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search X23 3CM2 25011738 56464641 ZINC39091380 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47684 CC[C@H](N)C(=O)N[C@H]1[C@@H](CCN)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C29H39N5O3/c1-2-23(31)27(35)33-26-21(17-18-30)13-14-22-15-16-24(34(22)29(26)37)28(36)32-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21-26H,2,13-18,30-31H2,1H3,(H,32,36)(H,33,35)/t21-,22+,23+,24+,26+/m1/s1 KQHWCFZCUNTTCW-VEGWMBEDSA-N 26205 (3S,6S,7R,9aS)-6-[(2S)-2-aminobutanamido]-7-(2-aminoethyl)-N-(diphenylmethyl)-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::BMC175834 Compound 32a::Smac037 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 220 250 7.5 22.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.09.064 10.7270/Q2NG4NZ8 18851976 aid1798647 Mastrangelo, E; Cossu, F; Milani, M; Sorrentino, G; Lecis, D; Delia, D; Manzoni, L; Drago, C; Seneci, P; Scolastico, C; Rizzo, V; Bolognesi, M University of Milano http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26205&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search SMK 3EYL,3MUP 25058143 56464642 ZINC39205347 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47685 CC[C@H](NC)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C28H36N4O3/c1-3-22(29-2)26(33)30-23-16-10-15-21-17-18-24(32(21)28(23)35)27(34)31-25(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21-25,29H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,22-,23-,24-/m0/s1 UKNQPDHAXSCGKL-ZJZGAYNASA-N 13212 (3S,6S,9aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylamino)butanamido]-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::(3S,6S,9aS)-N-benzhydryl-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::BMC175834 Compound 1b::JMC517169 Compound 13::JMC517352 Compound 1::SM-131::conformationally constrained Smac mimetic 2 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 61 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm801146d 10.7270/Q2HQ3X7Z 19012392 aid1798648 Zhang, B; Nikolovska-Coleska, Z; Zhang, Y; Bai, L; Qiu, S; Yang, CY; Sun, H; Wang, S; Wu, Y Shanghai Institute of Organic Chemistry http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13212&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11518553 46513622 ZINC14952024 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47686 CN[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C31H34N4O3/c1-20(32-2)29(36)33-25-19-23-15-9-10-16-24(23)26-17-18-27(35(26)31(25)38)30(37)34-28(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,20,25-28,32H,17-19H2,1-2H3,(H,33,36)(H,34,37)/t20-,25-,26+,27-/m0/s1 DKSXMHRSKSOZAT-MPPVSAIVSA-N 26206 (2R,5S,8S)-N-(diphenylmethyl)-8-[(2S)-2-(methylamino)propanamido]-7-oxo-6-azatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),11,13-triene-5-carboxamide::Smac mimetic, 5 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 30 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm801146d 10.7270/Q2HQ3X7Z 19012392 aid1798648 Zhang, B; Nikolovska-Coleska, Z; Zhang, Y; Bai, L; Qiu, S; Yang, CY; Sun, H; Wang, S; Wu, Y Shanghai Institute of Organic Chemistry http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26206&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25138055 56464643 ZINC42852126 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47687 CN[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C28H34N4O3/c1-17(29-2)26(33)31-23-16-19-9-4-6-12-21(19)24-14-15-25(32(24)28(23)35)27(34)30-22-13-7-10-18-8-3-5-11-20(18)22/h3-6,8-9,11-12,17,22-25,29H,7,10,13-16H2,1-2H3,(H,30,34)(H,31,33)/t17-,22+,23-,24+,25-/m0/s1 YKDUDNBQXZHFLC-MMXROVNTSA-N 26207 (2R,5S,8S)-8-[(2S)-2-(methylamino)propanamido]-7-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-azatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),11,13-triene-5-carboxamide::WS-5 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 18 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm801146d 10.7270/Q2HQ3X7Z 19012392 aid1798648 Zhang, B; Nikolovska-Coleska, Z; Zhang, Y; Bai, L; Qiu, S; Yang, CY; Sun, H; Wang, S; Wu, Y Shanghai Institute of Organic Chemistry http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26207 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26207&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25138056 56464644 ZINC40391831 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47688 CN[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCc2ccccc12 InChI=1S/C28H34N4O3/c1-17(29-2)26(33)31-23-16-19-9-4-6-12-21(19)24-14-15-25(32(24)28(23)35)27(34)30-22-13-7-10-18-8-3-5-11-20(18)22/h3-6,8-9,11-12,17,22-25,29H,7,10,13-16H2,1-2H3,(H,30,34)(H,31,33)/t17-,22-,23-,24+,25-/m0/s1 YKDUDNBQXZHFLC-JRCPAZTJSA-N 26208 (2R,5S,8S)-8-[(2S)-2-(methylamino)propanamido]-7-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-azatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),11,13-triene-5-carboxamide::Smac mimetic, 7 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1200 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm801146d 10.7270/Q2HQ3X7Z 19012392 aid1798648 Zhang, B; Nikolovska-Coleska, Z; Zhang, Y; Bai, L; Qiu, S; Yang, CY; Sun, H; Wang, S; Wu, Y Shanghai Institute of Organic Chemistry http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26208&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25138057 56464645 ZINC40861395 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47689 CN[C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C32H36N4O3/c1-21(33-2)30(37)34-26-20-24-16-9-10-17-25(24)27-18-11-19-28(36(27)32(26)39)31(38)35-29(22-12-5-3-6-13-22)23-14-7-4-8-15-23/h3-10,12-17,21,26-29,33H,11,18-20H2,1-2H3,(H,34,37)(H,35,38)/t21-,26-,27+,28-/m0/s1 JOHHONWRDYKZMW-PSRPIYIESA-N 26209 (2R,6S,9S)-N-(diphenylmethyl)-9-[(2S)-2-(methylamino)propanamido]-8-oxo-7-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),11,13-triene-6-carboxamide::Smac mimetic, 8 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 690 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm801146d 10.7270/Q2HQ3X7Z 19012392 aid1798648 Zhang, B; Nikolovska-Coleska, Z; Zhang, Y; Bai, L; Qiu, S; Yang, CY; Sun, H; Wang, S; Wu, Y Shanghai Institute of Organic Chemistry http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26209&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25138058 56464646 ZINC42852525 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47700 CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(N)=O InChI=1S/C19H35N5O4/c1-6-11(4)15(16(21)25)23-18(27)13-8-7-9-24(13)19(28)14(10(2)3)22-17(26)12(5)20/h10-15H,6-9,20H2,1-5H3,(H2,21,25)(H,22,26)(H,23,27)/t11-,12-,13-,14-,15-/m0/s1 JHPFUTHPFNABKY-YTFOTSKYSA-N 13200 (2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamide::Smac AVPI E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 580 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13200 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13200&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646361 46513611 C03803 ZINC13581519 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47701 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 InChI=1S/C20H30N4O3/c1-13(2)17(23-18(25)14(3)21)20(27)24-11-7-10-16(24)19(26)22-12-15-8-5-4-6-9-15/h4-6,8-9,13-14,16-17H,7,10-12,21H2,1-3H3,(H,22,26)(H,23,25)/t14-,16-,17-/m0/s1 RFCQRRDVLMEWMG-XIRDDKMYSA-N 13142 (2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-benzylpyrrolidine-2-carboxamide::JMC517169 Compound 1::Smac AVPI Mimetic 1::Smac peptido-mimetic 1 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 290 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13142&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11200722 46513555 C03803 ZINC38148356 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47702 C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 InChI=1S/C19H26N4O3/c1-12(20)17(24)22-15-9-7-14-8-10-16(23(14)19(15)26)18(25)21-11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11,20H2,1H3,(H,21,25)(H,22,24)/t12-,14-,15-,16-/m0/s1 HRYYDNAJRUXAJE-TUUVXOQKSA-N 13202 (3S,6S,8aS)-6-[(2S)-2-aminopropanamido]-N-benzyl-5-oxo-octahydroindolizine-3-carboxamide::Smac AVPI Mimetic 2 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 4470 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13202 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13202&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11326885 46513612 C03803 ZINC13581521 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47703 C[C@H](N)C(=O)N[C@H]1CC[C@@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 InChI=1S/C19H26N4O3/c1-12(20)17(24)22-15-9-7-14-8-10-16(23(14)19(15)26)18(25)21-11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11,20H2,1H3,(H,21,25)(H,22,24)/t12-,14+,15-,16-/m0/s1 HRYYDNAJRUXAJE-UKMLZYKCSA-N 13203 (3S,6S,8aR)-6-[(2S)-2-aminopropanamido]-N-benzyl-5-oxo-octahydroindolizine-3-carboxamide::Smac AVPI Mimetic 3 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >100000 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13203 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13203&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11280887 46513613 C03803 ZINC13581523 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47704 C[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 InChI=1S/C20H28N4O3/c1-13(21)18(25)23-16-9-5-8-15-10-11-17(24(15)20(16)27)19(26)22-12-14-6-3-2-4-7-14/h2-4,6-7,13,15-17H,5,8-12,21H2,1H3,(H,22,26)(H,23,25)/t13-,15-,16-,17-/m0/s1 FHZYBAJOAPZBPA-HJWJTTGWSA-N 26210 (3S,6S,9aS)-6-[(2S)-2-aminopropanamido]-N-benzyl-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::bicyclic Smac peptide mimetic, 4 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 150 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26210&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11417422 56464647 C03803 ZINC40379922 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47705 C[C@H](N)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 InChI=1S/C21H30N4O3/c1-14(22)19(26)24-17-10-6-5-9-16-11-12-18(25(16)21(17)28)20(27)23-13-15-7-3-2-4-8-15/h2-4,7-8,14,16-18H,5-6,9-13,22H2,1H3,(H,23,27)(H,24,26)/t14-,16-,17-,18-/m0/s1 UBVZCCQRCAEWCF-DKIMLUQUSA-N 26211 (3S,6S,10aS)-6-[(2S)-2-aminopropanamido]-N-benzyl-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide::bicyclic Smac peptide mimetic, 5 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 100 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26211&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25138059 56464648 C03803 ZINC40892672 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47706 CC[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 InChI=1S/C20H28N4O3/c1-2-15(21)18(25)23-16-10-8-14-9-11-17(24(14)20(16)27)19(26)22-12-13-6-4-3-5-7-13/h3-7,14-17H,2,8-12,21H2,1H3,(H,22,26)(H,23,25)/t14-,15-,16-,17-/m0/s1 GKPMRGORHINVPF-QAETUUGQSA-N 13204 (3S,6S,8aS)-6-[(2S)-2-aminobutanamido]-N-benzyl-5-oxo-octahydroindolizine-3-carboxamide::JMC517169 Compound 6::Smac AVPI Mimetic 10a E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1410 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13204 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13204&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11440194 46513614 ZINC13581525 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47707 CCC[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 InChI=1S/C21H30N4O3/c1-2-6-16(22)19(26)24-17-11-9-15-10-12-18(25(15)21(17)28)20(27)23-13-14-7-4-3-5-8-14/h3-5,7-8,15-18H,2,6,9-13,22H2,1H3,(H,23,27)(H,24,26)/t15-,16-,17-,18-/m0/s1 SIHYEEZRRRKAID-XSLAGTTESA-N 13205 (3S,6S,8aS)-6-[(2S)-2-aminopentanamido]-N-benzyl-5-oxo-octahydroindolizine-3-carboxamide::JMC517169 Compound 7::Smac AVPI Mimetic 10b E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >100000 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13205 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13205&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11153398 46513615 ZINC13581526 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47708 CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NCc1ccccc1 InChI=1S/C21H30N4O3/c1-13(2)18(22)20(27)24-16-10-8-15-9-11-17(25(15)21(16)28)19(26)23-12-14-6-4-3-5-7-14/h3-7,13,15-18H,8-12,22H2,1-2H3,(H,23,26)(H,24,27)/t15-,16-,17-,18-/m0/s1 QWLIXQAEMNLCQR-XSLAGTTESA-N 13206 (3S,6S,8aS)-6-[(2S)-2-amino-3-methylbutanamido]-N-benzyl-5-oxo-octahydroindolizine-3-carboxamide::JMC517169 Compound 8::Smac AVPI Mimetic 10c E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 43110 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13206 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13206&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11474659 46513616 ZINC13581528 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47709 C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C25H30N4O3/c1-16(26)23(30)27-20-14-12-19-13-15-21(29(19)25(20)32)24(31)28-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-22H,12-15,26H2,1H3,(H,27,30)(H,28,31)/t16-,19-,20-,21-/m0/s1 CDMWMGBMHRDILL-FIRPJDEBSA-N 13209 (3S,6S,8aS)-6-[(2S)-2-aminopropanamido]-N-(diphenylmethyl)-5-oxo-octahydroindolizine-3-carboxamide::JMC517169 Compound 9::Smac AVPI Mimetic 12c E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 2330 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13209 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13209&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11166423 46513619 C03803 ZINC13581534 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47710 CC[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C26H32N4O3/c1-2-20(27)24(31)28-21-15-13-19-14-16-22(30(19)26(21)33)25(32)29-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-23H,2,13-16,27H2,1H3,(H,28,31)(H,29,32)/t19-,20-,21-,22-/m0/s1 VWDMCRIMEONDMI-CMOCDZPBSA-N 13210 (3S,6S,8aS)-6-[(2S)-2-aminobutanamido]-N-(diphenylmethyl)-5-oxo-octahydroindolizine-3-carboxamide::JMC517169 Compound 10::Smac AVPI Mimetic 12d E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 350 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13210 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13210&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 23646362 46513620 ZINC13581536 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47711 C[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C26H32N4O3/c1-17(27)24(31)28-21-14-8-13-20-15-16-22(30(20)26(21)33)25(32)29-23(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,17,20-23H,8,13-16,27H2,1H3,(H,28,31)(H,29,32)/t17-,20-,21-,22-/m0/s1 JHJTWSSGXYISJM-MQGJPIDWSA-N 26212 (3S,6S,9aS)-6-[(2S)-2-aminopropanamido]-N-(diphenylmethyl)-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::bicyclic Smac peptide mimetic, 11 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 60 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26212&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11190107 56464649 C03803 ZINC38347596 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47712 CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C27H34N4O3/c1-2-21(28)25(32)29-22-15-9-14-20-16-17-23(31(20)27(22)34)26(33)30-24(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-24H,2,9,14-17,28H2,1H3,(H,29,32)(H,30,33)/t20-,21-,22-,23-/m0/s1 XWYMWLGPGRAJLM-MLCQCVOFSA-N 13211 (3S,6S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenylmethyl)-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::BMC175834 Compound 1a::JMB384673 Smac001::JMC517169 Compound 12::conformationally constrained Smac mimetic 1 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 25 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13211 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13211&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11225031 46513621 ZINC14952019 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47713 CC[C@H](NC)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C28H36N4O3/c1-3-22(29-2)26(33)30-23-16-10-15-21-17-18-24(32(21)28(23)35)27(34)31-25(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21-25,29H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,22-,23-,24-/m0/s1 UKNQPDHAXSCGKL-ZJZGAYNASA-N 13212 (3S,6S,9aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylamino)butanamido]-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::(3S,6S,9aS)-N-benzhydryl-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::BMC175834 Compound 1b::JMC517169 Compound 13::JMC517352 Compound 1::SM-131::conformationally constrained Smac mimetic 2 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 61 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13212 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13212&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11518553 46513622 ZINC14952024 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47714 CC[C@H](N(C)C)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C29H38N4O3/c1-4-24(32(2)3)27(34)30-23-17-11-16-22-18-19-25(33(22)29(23)36)28(35)31-26(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-15,22-26H,4,11,16-19H2,1-3H3,(H,30,34)(H,31,35)/t22-,23-,24-,25-/m0/s1 CKOYRIROPKBZLR-QORCZRPOSA-N 13213 (3S,6S,9aS)-6-[(2S)-2-(dimethylamino)butanamido]-N-(diphenylmethyl)-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::(3S,6S,9aS)-N-benzhydryl-6-{[(2S)-2-(dimethylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::JMC517169 Compound 14::conformationally constrained Smac mimetic 3 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 14400 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=13213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=13213&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11562245 46513623 ZINC14952029 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47715 CC[C@H](O)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C27H33N3O4/c1-2-23(31)26(33)28-21-15-9-14-20-16-17-22(30(20)27(21)34)25(32)29-24(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-24,31H,2,9,14-17H2,1H3,(H,28,33)(H,29,32)/t20-,21-,22-,23-/m0/s1 HVADKVMBUUALGR-MLCQCVOFSA-N 26213 (3S,6S,9aS)-N-(diphenylmethyl)-6-[(2S)-2-hydroxybutanamido]-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide::bicyclic Smac peptide mimetic, 15 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 29000 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26213 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26213&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25138060 56464650 ZINC45495476 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47716 C[C@H](N)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C27H34N4O3/c1-18(28)25(32)29-22-15-9-8-14-21-16-17-23(31(21)27(22)34)26(33)30-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,18,21-24H,8-9,14-17,28H2,1H3,(H,29,32)(H,30,33)/t18-,21-,22-,23-/m0/s1 HUNKZBAXZXQBEQ-QGQQZZQASA-N 26214 (3S,6S,10aS)-6-[(2S)-2-aminopropanamido]-N-(diphenylmethyl)-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide::bicyclic Smac peptide mimetic, 16 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 14 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26214 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26214&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25138061 56464651 C03803 ZINC40423484 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47717 CC[C@H](N)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C28H36N4O3/c1-2-22(29)26(33)30-23-16-10-9-15-21-17-18-24(32(21)28(23)35)27(34)31-25(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,21-25H,2,9-10,15-18,29H2,1H3,(H,30,33)(H,31,34)/t21-,22-,23-,24-/m0/s1 SPMRYEMCEZYTQS-ZJZGAYNASA-N 26215 (3S,6S,10aS)-6-[(2S)-2-aminobutanamido]-N-(diphenylmethyl)-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide::bicyclic Smac peptide mimetic, 17 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 39 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26215 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26215&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25138062 56464652 ZINC45496423 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47718 CC[C@H](N)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1ccccc1)c1ccc2ccccc2c1 InChI=1S/C32H38N4O3/c1-2-26(33)30(37)34-27-15-9-8-14-25-18-19-28(36(25)32(27)39)31(38)35-29(22-11-4-3-5-12-22)24-17-16-21-10-6-7-13-23(21)20-24/h3-7,10-13,16-17,20,25-29H,2,8-9,14-15,18-19,33H2,1H3,(H,34,37)(H,35,38)/t25-,26-,27-,28-,29+/m0/s1 MKYCFUQCPNJXDQ-MYHRABSESA-N 26216 (3S,6S,10aS)-6-[(2S)-2-aminobutanamido]-N-[(R)-naphthalen-2-yl(phenyl)methyl]-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide::bicyclic Smac peptide mimetic, 18 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 759 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26216 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26216&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25138063 56464653 ZINC42887538 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47719 CC[C@H](N)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](c1ccccc1)c1ccc2ccccc2c1 InChI=1S/C32H38N4O3/c1-2-26(33)30(37)34-27-15-9-8-14-25-18-19-28(36(25)32(27)39)31(38)35-29(22-11-4-3-5-12-22)24-17-16-21-10-6-7-13-23(21)20-24/h3-7,10-13,16-17,20,25-29H,2,8-9,14-15,18-19,33H2,1H3,(H,34,37)(H,35,38)/t25-,26-,27-,28-,29-/m0/s1 MKYCFUQCPNJXDQ-ZIUUJSQJSA-N 26217 (3S,6S,10aS)-6-[(2S)-2-aminobutanamido]-N-[(S)-naphthalen-2-yl(phenyl)methyl]-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide::bicyclic Smac peptide mimetic, 19 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 47 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26217 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26217&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25138064 56464654 ZINC49877995 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47720 CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C28H36N4O3/c1-19(29-2)26(33)30-23-16-10-9-15-22-17-18-24(32(22)28(23)35)27(34)31-25(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,19,22-25,29H,9-10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t19-,22-,23-,24-/m0/s1 XBTLZUHJBOBKRG-HCUBDLJJSA-N 26218 (3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide::CHEMBL481422::bicyclic Smac peptide mimetic, 20 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 26 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26218 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26218&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 24754886 56464655 CHEMBL481422 ZINC35065524 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47721 CC[C@H](NC)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C29H38N4O3/c1-3-23(30-2)27(34)31-24-17-11-10-16-22-18-19-25(33(22)29(24)36)28(35)32-26(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,22-26,30H,3,10-11,16-19H2,1-2H3,(H,31,34)(H,32,35)/t22-,23-,24-,25-/m0/s1 NLJQXGSVYYFGHX-QORCZRPOSA-N 26219 (3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylamino)butanamido]-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide::bicyclic Smac peptide mimetic, 21 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 67 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26219 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26219&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25138065 56464656 ZINC45496643 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47722 CC[C@H](N1CCCC1)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C32H42N4O3/c1-2-27(35-21-11-12-22-35)30(37)33-26-18-10-9-17-25-19-20-28(36(25)32(26)39)31(38)34-29(23-13-5-3-6-14-23)24-15-7-4-8-16-24/h3-8,13-16,25-29H,2,9-12,17-22H2,1H3,(H,33,37)(H,34,38)/t25-,26-,27-,28-/m0/s1 QERNPHRNQHFRIT-LJWNLINESA-N 26220 (3S,6S,10aS)-N-(diphenylmethyl)-5-oxo-6-[(2S)-2-(pyrrolidin-1-yl)butanamido]-decahydropyrrolo[1,2-a]azocine-3-carboxamide::bicyclic Smac peptide mimetic, 22 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 856 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26220 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26220&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25138066 56464657 ZINC42887435 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47723 CC[C@H](N1CCOCC1)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C32H42N4O4/c1-2-27(35-19-21-40-22-20-35)30(37)33-26-16-10-9-15-25-17-18-28(36(25)32(26)39)31(38)34-29(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,25-29H,2,9-10,15-22H2,1H3,(H,33,37)(H,34,38)/t25-,26-,27-,28-/m0/s1 OYMUMWGTIVZDEF-LJWNLINESA-N 26221 (3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-(morpholin-4-yl)butanamido]-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide::bicyclic Smac peptide mimetic, 23 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 32870 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26221 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26221&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25138067 56464658 ZINC44307496 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47724 C[C@H](O)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 InChI=1S/C27H33N3O4/c1-18(31)25(32)28-22-15-9-8-14-21-16-17-23(30(21)27(22)34)26(33)29-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,18,21-24,31H,8-9,14-17H2,1H3,(H,28,32)(H,29,33)/t18-,21-,22-,23-/m0/s1 MEIDRYNCEXLIEO-QGQQZZQASA-N 26222 (3S,6S,10aS)-N-(diphenylmethyl)-6-[(2S)-2-hydroxypropanamido]-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide::bicyclic Smac peptide mimetic, 24 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 12970 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26222 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26222&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25138068 56464659 ZINC40423789 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47725 CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C25H36N4O3/c1-16(26-2)23(30)28-21-12-6-4-10-18-14-15-22(29(18)25(21)32)24(31)27-20-13-7-9-17-8-3-5-11-19(17)20/h3,5,8,11,16,18,20-22,26H,4,6-7,9-10,12-15H2,1-2H3,(H,27,31)(H,28,30)/t16-,18-,20+,21-,22-/m0/s1 IPIIAWQBJWTGKF-WVNMJAPOSA-N 26223 (3S,6S,10aS)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-decahydropyrrolo[1,2-a]azocine-3-carboxamide::CHEMBL481213::bicyclic Smac peptide mimetic, 25 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 14 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26223 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26223&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25138069 56464660 CHEMBL481213 ZINC40936073 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47726 CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCc2ccccc12 InChI=1S/C25H36N4O3/c1-16(26-2)23(30)28-21-12-6-4-10-18-14-15-22(29(18)25(21)32)24(31)27-20-13-7-9-17-8-3-5-11-19(17)20/h3,5,8,11,16,18,20-22,26H,4,6-7,9-10,12-15H2,1-2H3,(H,27,31)(H,28,30)/t16-,18-,20-,21-,22-/m0/s1 IPIIAWQBJWTGKF-CPNAEOBWSA-N 26224 (3S,6S,10aS)-6-[(2S)-2-(methylamino)propanamido]-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-decahydropyrrolo[1,2-a]azocine-3-carboxamide::CHEMBL481421::bicyclic Smac peptide mimetic, 26 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 274 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26224 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26224&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25138070 56464661 CHEMBL481421 ZINC40420262 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 47727 CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H]1CCc2ccccc12 InChI=1S/C24H34N4O3/c1-15(25-2)22(29)27-20-10-6-4-8-17-12-14-21(28(17)24(20)31)23(30)26-19-13-11-16-7-3-5-9-18(16)19/h3,5,7,9,15,17,19-21,25H,4,6,8,10-14H2,1-2H3,(H,26,30)(H,27,29)/t15-,17-,19+,20-,21-/m0/s1 NZBNCCVQVQBULF-VPOJOSCRSA-N 26225 (3S,6S,10aS)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-[(2S)-2-(methylamino)propanamido]-5-oxo-decahydropyrrolo[1,2-a]azocine-3-carboxamide::bicyclic Smac peptide mimetic, 27 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 15 7.5 22.00 C Curated from the literature by BindingDB 10.1021/jm8006849 10.7270/Q2CZ35G5 18954041 aid1798649 Sun, H; Stuckey, JA; Nikolovska-Coleska, Z; Qin, D; Meagher, JL; Qiu, S; Lu, J; Yang, CY; Saito, NG; Wang, S University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26225 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26225&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25138071 56464662 ZINC42888549 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51015 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@@H]12)C(C)(C)C InChI=1S/C31H42N4O3/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-18-23-16-17-24(26(23)35)33-29(37)25(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20,23-27,32H,16-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23+,24-,26-,27+/m0/s1 BGWQMUKSEXDJIL-PCVPZPMISA-N 27918 (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-(2,2-diphenylacetamido)-octahydrocyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide::Azabicyclooctane scaffold, 14a E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 570 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27918&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 419 3F7H 25195345 57560430 ZINC43203968 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51016 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3cccc4ccccc34)[C@@H]12)C(C)(C)C InChI=1S/C28H38N4O3/c1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-16-15-19-13-14-22(23(19)32)30-26(34)21-12-8-10-18-9-6-7-11-20(18)21/h6-12,17,19,22-24,29H,13-16H2,1-5H3,(H,30,34)(H,31,33)/t17-,19+,22-,23-,24+/m0/s1 FTXKVJPIFDKIID-YBAXTEPTSA-N 27919 Azabicyclooctane scaffold, 14b::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 140 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27919&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search G13 3F7I 25195346 57560431 ZINC40896204 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51017 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc(F)c4ccccc34)[C@@H]12)C(C)(C)C InChI=1S/C28H37FN4O3/c1-16(30-5)25(34)32-24(28(2,3)4)27(36)33-15-14-17-10-13-22(23(17)33)31-26(35)20-11-12-21(29)19-9-7-6-8-18(19)20/h6-9,11-12,16-17,22-24,30H,10,13-15H2,1-5H3,(H,31,35)(H,32,34)/t16-,17+,22-,23-,24+/m0/s1 YAJNIUXPYCFLBK-SBWRPUSSSA-N 27920 Azabicyclooctane scaffold, 14c::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-4-fluoronaphthalene-1-carboxamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 210 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27920&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218664 57560432 ZINC44360689 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51018 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc(C)c4ccccc34)[C@@H]12)C(C)(C)C InChI=1S/C29H40N4O3/c1-17-11-13-22(21-10-8-7-9-20(17)21)27(35)31-23-14-12-19-15-16-33(24(19)23)28(36)25(29(3,4)5)32-26(34)18(2)30-6/h7-11,13,18-19,23-25,30H,12,14-16H2,1-6H3,(H,31,35)(H,32,34)/t18-,19+,23-,24-,25+/m0/s1 ZDFJYYRBUSKIOX-BVPJHWTISA-N 27921 Azabicyclooctane scaffold, 14d::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-4-methylnaphthalene-1-carboxamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 190 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27921&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218665 57560433 ZINC42852423 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51019 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3c(OC)ccc4ccccc34)[C@@H]12)C(C)(C)C InChI=1S/C29H40N4O4/c1-17(30-5)26(34)32-25(29(2,3)4)28(36)33-16-15-19-11-13-21(24(19)33)31-27(35)23-20-10-8-7-9-18(20)12-14-22(23)37-6/h7-10,12,14,17,19,21,24-25,30H,11,13,15-16H2,1-6H3,(H,31,35)(H,32,34)/t17-,19+,21-,24-,25+/m0/s1 KULASWCGDWKFRQ-WSXGSKLPSA-N 27922 Azabicyclooctane scaffold, 14e::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-2-methoxynaphthalene-1-carboxamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 110 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27922&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218666 57560434 ZINC44362255 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51020 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4ccccc4c3)[C@@H]12)C(C)(C)C InChI=1S/C28H38N4O3/c1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-15-14-19-12-13-22(23(19)32)30-26(34)21-11-10-18-8-6-7-9-20(18)16-21/h6-11,16-17,19,22-24,29H,12-15H2,1-5H3,(H,30,34)(H,31,33)/t17-,19+,22-,23-,24+/m0/s1 JFFMYRPQVOGSQN-YBAXTEPTSA-N 27923 Azabicyclooctane scaffold, 14f::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]naphthalene-2-carboxamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1200 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27923&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218667 57560435 ZINC40860343 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51021 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccccc3)[C@@H]12)C(C)(C)C InChI=1S/C24H36N4O3/c1-15(25-5)21(29)27-20(24(2,3)4)23(31)28-14-13-16-11-12-18(19(16)28)26-22(30)17-9-7-6-8-10-17/h6-10,15-16,18-20,25H,11-14H2,1-5H3,(H,26,30)(H,27,29)/t15-,16+,18-,19-,20+/m0/s1 IWYPEHHCCCPVAX-HHUCQEJWSA-N 27924 Azabicyclooctane scaffold, 14g::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]benzamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 500 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27924&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218668 57560436 ZINC40380230 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51022 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3cccc(c3)S(C)(=O)=O)[C@@H]12)C(C)(C)C InChI=1S/C25H38N4O5S/c1-15(26-5)22(30)28-21(25(2,3)4)24(32)29-13-12-16-10-11-19(20(16)29)27-23(31)17-8-7-9-18(14-17)35(6,33)34/h7-9,14-16,19-21,26H,10-13H2,1-6H3,(H,27,31)(H,28,30)/t15-,16+,19-,20-,21+/m0/s1 ALJBEHLNJJTYSS-CEDHKZHLSA-N 27925 Azabicyclooctane scaffold, 14h::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-3-methanesulfonylbenzamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 8100 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27925&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218669 57560437 ZINC40848661 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51023 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3cccc4cccnc34)[C@@H]12)C(C)(C)C InChI=1S/C27H37N5O3/c1-16(28-5)24(33)31-23(27(2,3)4)26(35)32-15-13-18-11-12-20(22(18)32)30-25(34)19-10-6-8-17-9-7-14-29-21(17)19/h6-10,14,16,18,20,22-23,28H,11-13,15H2,1-5H3,(H,30,34)(H,31,33)/t16-,18+,20-,22-,23+/m0/s1 DBSBFQYSCGHURJ-GHRKFHRNSA-N 27926 Azabicyclooctane scaffold, 14i::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]quinoline-8-carboxamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1800 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27926&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218670 57560438 ZINC40379699 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51024 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4occc4c3)[C@@H]12)C(C)(C)C InChI=1S/C26H36N4O4/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-12-10-16-6-8-19(21(16)30)28-24(32)18-7-9-20-17(14-18)11-13-34-20/h7,9,11,13-16,19,21-22,27H,6,8,10,12H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1 SHIOBTFUNOXOLX-PNIWUYDQSA-N 27927 Azabicyclooctane scaffold, 14j::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-1-benzofuran-5-carboxamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 490 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27927&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218671 57560439 ZINC40866064 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51025 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4OCCc4c3)[C@@H]12)C(C)(C)C InChI=1S/C26H38N4O4/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-12-10-16-6-8-19(21(16)30)28-24(32)18-7-9-20-17(14-18)11-13-34-20/h7,9,14-16,19,21-22,27H,6,8,10-13H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1 OCEFHCBADSSFNI-PNIWUYDQSA-N 27928 Azabicyclooctane scaffold, 14k::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-2,3-dihydro-1-benzofuran-5-carboxamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1200 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27928&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218672 57560440 ZINC40873679 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51026 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4OCOc4c3)[C@@H]12)C(C)(C)C InChI=1S/C25H36N4O5/c1-14(26-5)22(30)28-21(25(2,3)4)24(32)29-11-10-15-6-8-17(20(15)29)27-23(31)16-7-9-18-19(12-16)34-13-33-18/h7,9,12,14-15,17,20-21,26H,6,8,10-11,13H2,1-5H3,(H,27,31)(H,28,30)/t14-,15+,17-,20-,21+/m0/s1 DSQABRZXPNMKFS-ALBMSPKDSA-N 27929 Azabicyclooctane scaffold, 14l::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-2H-1,3-benzodioxole-5-carboxamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1800 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27929&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218673 57560441 ZINC40391397 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51027 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4nc[nH]c4c3)[C@@H]12)C(C)(C)C InChI=1S/C25H36N6O3/c1-14(26-5)22(32)30-21(25(2,3)4)24(34)31-11-10-15-6-9-18(20(15)31)29-23(33)16-7-8-17-19(12-16)28-13-27-17/h7-8,12-15,18,20-21,26H,6,9-11H2,1-5H3,(H,27,28)(H,29,33)(H,30,32)/t14-,15+,18-,20-,21+/m0/s1 HBIHHTINCMTJSZ-MXUFIIGOSA-N 27930 Azabicyclooctane scaffold, 14m::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-1H-1,3-benzodiazole-5-carboxamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 14300 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27930&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218674 57560442 ZINC40865455 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51028 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4nn[nH]c4c3)[C@@H]12)C(C)(C)C InChI=1S/C24H35N7O3/c1-13(25-5)21(32)27-20(24(2,3)4)23(34)31-11-10-14-6-9-17(19(14)31)26-22(33)15-7-8-16-18(12-15)29-30-28-16/h7-8,12-14,17,19-20,25H,6,9-11H2,1-5H3,(H,26,33)(H,27,32)(H,28,29,30)/t13-,14+,17-,19-,20+/m0/s1 LOZPZKNLDREQDD-CPHCCSARSA-N 27931 Azabicyclooctane scaffold, 14n::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-1H-1,2,3-benzotriazole-5-carboxamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1500 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27931&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218675 57560443 ZINC40393056 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51029 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4nonc4c3)[C@@H]12)C(C)(C)C InChI=1S/C24H34N6O4/c1-13(25-5)21(31)27-20(24(2,3)4)23(33)30-11-10-14-6-9-17(19(14)30)26-22(32)15-7-8-16-18(12-15)29-34-28-16/h7-8,12-14,17,19-20,25H,6,9-11H2,1-5H3,(H,26,32)(H,27,31)/t13-,14+,17-,19-,20+/m0/s1 BNNPYNORGFBPSQ-CPHCCSARSA-N 27932 Azabicyclooctane scaffold, 14o::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-2,1,3-benzoxadiazole-5-carboxamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 8600 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27932&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218676 57560444 ZINC40863422 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51030 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)C3COc4ccccc34)[C@@H]12)C(C)(C)C InChI=1S/C26H38N4O4/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-13-12-16-10-11-19(21(16)30)28-24(32)18-14-34-20-9-7-6-8-17(18)20/h6-9,15-16,18-19,21-22,27H,10-14H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,18?,19-,21-,22+/m0/s1 PIFSVAAAEYDWOT-OXMYPRSPSA-N 27933 Azabicyclooctane scaffold, 14p::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-2,3-dihydro-1-benzofuran-3-carboxamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1300 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27933&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11178892 57560445 ZINC38335981 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51031 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3coc4ccccc34)[C@@H]12)C(C)(C)C InChI=1S/C26H36N4O4/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-13-12-16-10-11-19(21(16)30)28-24(32)18-14-34-20-9-7-6-8-17(18)20/h6-9,14-16,19,21-22,27H,10-13H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1 LFKRHTZPPCDUBN-PNIWUYDQSA-N 27934 Azabicyclooctane scaffold, 14q::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-1-benzofuran-3-carboxamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 640 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27934&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218677 57560446 ZINC40391846 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51032 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3csc4ccccc34)[C@@H]12)C(C)(C)C InChI=1S/C26H36N4O3S/c1-15(27-5)23(31)29-22(26(2,3)4)25(33)30-13-12-16-10-11-19(21(16)30)28-24(32)18-14-34-20-9-7-6-8-17(18)20/h6-9,14-16,19,21-22,27H,10-13H2,1-5H3,(H,28,32)(H,29,31)/t15-,16+,19-,21-,22+/m0/s1 VSALGTVNPILLCS-PNIWUYDQSA-N 27935 Azabicyclooctane scaffold, 14r::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-1-benzothiophene-3-carboxamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 160 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27935&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 11705765 57560447 ZINC40860881 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51033 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N(C)c3ccccc3)[C@@H]12)C(C)(C)C InChI=1S/C25H39N5O3/c1-16(26-5)22(31)28-21(25(2,3)4)23(32)30-15-14-17-12-13-19(20(17)30)27-24(33)29(6)18-10-8-7-9-11-18/h7-11,16-17,19-21,26H,12-15H2,1-6H3,(H,27,33)(H,28,31)/t16-,17+,19-,20-,21+/m0/s1 DBXXUGWDADCOGA-YZUZWNONSA-N 27936 (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-{[methyl(phenyl)carbamoyl]amino}-octahydrocyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide::Azabicyclooctane scaffold, 14s E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 330 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27936&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218678 57560448 ZINC40863050 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51034 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N(C)c3ccc(F)cc3)[C@@H]12)C(C)(C)C InChI=1S/C25H38FN5O3/c1-15(27-5)22(32)29-21(25(2,3)4)23(33)31-14-13-16-7-12-19(20(16)31)28-24(34)30(6)18-10-8-17(26)9-11-18/h8-11,15-16,19-21,27H,7,12-14H2,1-6H3,(H,28,34)(H,29,32)/t15-,16+,19-,20-,21+/m0/s1 PCAICZHRVPCSTE-CEDHKZHLSA-N 27937 (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-{[(4-fluorophenyl)(methyl)carbamoyl]amino}-octahydrocyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide::Azabicyclooctane scaffold, 14t E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 580 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27937&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218679 57560449 ZINC40392896 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51035 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N(C)c3ccccn3)[C@@H]12)C(C)(C)C InChI=1S/C24H38N6O3/c1-15(25-5)21(31)28-20(24(2,3)4)22(32)30-14-12-16-10-11-17(19(16)30)27-23(33)29(6)18-9-7-8-13-26-18/h7-9,13,15-17,19-20,25H,10-12,14H2,1-6H3,(H,27,33)(H,28,31)/t15-,16+,17-,19-,20+/m0/s1 BVJVFSVEQPIZHI-SQIBXOBRSA-N 27938 (2S)-N-[(2S)-1-[(3aR,6S,6aS)-6-{[methyl(pyridin-2-yl)carbamoyl]amino}-octahydrocyclopenta[b]pyrrol-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide::Azabicyclooctane scaffold, 14u E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 5900 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27938&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218680 57560450 ZINC40861158 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51036 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N3CCc4ccccc34)[C@@H]12)C(C)(C)C InChI=1S/C26H39N5O3/c1-16(27-5)23(32)29-22(26(2,3)4)24(33)31-15-13-18-10-11-19(21(18)31)28-25(34)30-14-12-17-8-6-7-9-20(17)30/h6-9,16,18-19,21-22,27H,10-15H2,1-5H3,(H,28,34)(H,29,32)/t16-,18+,19-,21-,22+/m0/s1 FJAKNADBBZKKLG-CRDRRFEFSA-N 27939 Azabicyclooctane scaffold, 14v::N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-2,3-dihydro-1H-indole-1-carboxamide E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1500 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27939 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27939&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218681 57560451 ZINC40846395 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51037 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CNC(=O)C(c1ccccc1)c1ccccc1)C(C)(C)C InChI=1S/C29H40N4O3/c1-20(30-5)26(34)32-25(29(2,3)4)28(36)33-18-12-17-23(33)19-31-27(35)24(21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,20,23-25,30H,12,17-19H2,1-5H3,(H,31,35)(H,32,34)/t20-,23-,25+/m0/s1 PUCIIZPAQVRBTQ-GRYUFTJMSA-N 27940 (2S)-N-[(2S)-1-[(2S)-2-[(1,1-diphenylacetamido)methyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-(methylamino)propanamide::butoxycarbonylpyrrolidine derivative, 15a E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 3000 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27940 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27940&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218682 57560452 ZINC40379818 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51038 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1CNC(=O)c1cccc2ccccc12)C(C)(C)C InChI=1S/C26H36N4O3/c1-17(27-5)23(31)29-22(26(2,3)4)25(33)30-15-9-12-19(30)16-28-24(32)21-14-8-11-18-10-6-7-13-20(18)21/h6-8,10-11,13-14,17,19,22,27H,9,12,15-16H2,1-5H3,(H,28,32)(H,29,31)/t17-,19-,22+/m0/s1 FPXSXLPIQWNRHT-LQBOVUBWSA-N 27941 N-{[(2S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]pyrrolidin-2-yl]methyl}naphthalene-1-carboxamide::butoxycarbonylpyrrolidine derivative, 15b E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1600 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27941 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27941&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 25218683 57560453 ZINC40863603 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 51039 CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1 InChI=1S/C27H36N4O3/c1-18(2)24(30-25(32)19(3)28)27(34)31-16-10-15-23(31)26(33)29-17-22(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-9,11-14,18-19,22-24H,10,15-17,28H2,1-3H3,(H,29,33)(H,30,32)/t19-,23-,24-/m0/s1 ZJCCVSICICQPSQ-IGKWTDBASA-N 27942 (2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(2,2-diphenylethyl)pyrrolidine-2-carboxamide::Ala-Val-Pro-2,2-diphenethylamine, 1 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 345 Curated from the literature by BindingDB 10.1021/jm801450c 10.7270/Q2WH2N9H 19228017 aid1798849 Cohen, F; Alicke, B; Elliott, LO; Flygare, JA; Goncharov, T; Keteltas, SF; Franklin, MC; Frankovitz, S; Stephan, JP; Tsui, V; Vucic, D; Wong, H; Fairbrother, WJ Genentech Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27942&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 389 3F7G 25195344 57560454 C03803 ZINC59046947 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363714 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ncnc2c(C)nn(C)c12 InChI=1S/C22H22ClN9O2/c1-11-18-20(32(4)31-11)19(27-10-26-18)13-7-16(29-21(33)12(2)24-3)28-17(8-13)30-22(34)15-6-5-14(23)9-25-15/h5-10,12,24H,1-4H3,(H2,28,29,30,33,34) DXLRRXHSQYADQZ-UHFFFAOYSA-N 205355 US9249151, 1 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 23 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205355&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117914853 321900947 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363715 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cc3COCc3cn2)n1)-c1ncnc2c(C)nn(C)c12 InChI=1S/C24H25N9O3/c1-12-20-22(33(4)32-12)21(28-11-27-20)14-6-18(30-23(34)13(2)25-3)29-19(7-14)31-24(35)17-5-15-9-36-10-16(15)8-26-17/h5-8,11,13,25H,9-10H2,1-4H3,(H2,29,30,31,34,35) JVVKFFPQWDMFOA-UHFFFAOYSA-N 205356 US9249151, 2 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 195 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205356&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902954 321900948 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363716 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(C)noc1C InChI=1S/C20H21ClN6O3/c1-10-18(12(3)30-27-10)13-7-16(25-19(28)11(2)22-4)24-17(8-13)26-20(29)15-6-5-14(21)9-23-15/h5-9,11,22H,1-4H3,(H2,24,25,26,28,29) HFZARJHWLBCIML-UHFFFAOYSA-N 205357 US9249151, 3 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 373 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205357&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117903061 321900949 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363717 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ccncc1C#N InChI=1S/C21H18ClN7O2/c1-12(24-2)20(30)28-18-7-13(16-5-6-25-10-14(16)9-23)8-19(27-18)29-21(31)17-4-3-15(22)11-26-17/h3-8,10-12,24H,1-2H3,(H2,27,28,29,30,31) DIRUKZOGZLQRRH-UHFFFAOYSA-N 205358 US9249151, 4 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 798 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205358&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902752 321900950 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363718 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(C)ncnc1C InChI=1S/C21H22ClN7O2/c1-11-19(12(2)26-10-25-11)14-7-17(28-20(30)13(3)23-4)27-18(8-14)29-21(31)16-6-5-15(22)9-24-16/h5-10,13,23H,1-4H3,(H2,27,28,29,30,31) VMDYIGXFARKGRU-UHFFFAOYSA-N 205359 US9249151, 5 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 315 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205359&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902708 321900951 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363719 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(C)nc2ccccn12 InChI=1S/C23H22ClN7O2/c1-13-21(31-9-5-4-6-20(31)27-13)15-10-18(29-22(32)14(2)25-3)28-19(11-15)30-23(33)17-8-7-16(24)12-26-17/h4-12,14,25H,1-3H3,(H2,28,29,30,32,33) IPMYNONQJGXRMY-UHFFFAOYSA-N 205360 US9249151, 6 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 93 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205360&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117903137 321900952 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363720 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1cccc2cnn(C)c12 InChI=1S/C23H22ClN7O2/c1-13(25-2)22(32)29-19-9-15(17-6-4-5-14-11-27-31(3)21(14)17)10-20(28-19)30-23(33)18-8-7-16(24)12-26-18/h4-13,25H,1-3H3,(H2,28,29,30,32,33) SSODRYBFZXXIMO-UHFFFAOYSA-N 205361 US9249151, 7 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 280 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205361&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902716 321900953 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363721 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nccc2cccc(C)c12 InChI=1S/C25H23ClN6O2/c1-14-5-4-6-16-9-10-28-23(22(14)16)17-11-20(31-24(33)15(2)27-3)30-21(12-17)32-25(34)19-8-7-18(26)13-29-19/h4-13,15,27H,1-3H3,(H2,30,31,32,33,34) HVRRDINATPKWHX-UHFFFAOYSA-N 205362 US9249151, 8::US9249151, 9 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 134 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205362&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902387 321900954 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363722 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nccc2cccc(C)c12 InChI=1S/C25H23ClN6O2/c1-14-5-4-6-16-9-10-28-23(22(14)16)17-11-20(31-24(33)15(2)27-3)30-21(12-17)32-25(34)19-8-7-18(26)13-29-19/h4-13,15,27H,1-3H3,(H2,30,31,32,33,34) HVRRDINATPKWHX-UHFFFAOYSA-N 205362 US9249151, 8::US9249151, 9 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 28 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205362&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902387 321900954 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363723 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(C)nc2cccc(C)n12 InChI=1S/C24H24ClN7O2/c1-13-6-5-7-21-28-14(2)22(32(13)21)16-10-19(30-23(33)15(3)26-4)29-20(11-16)31-24(34)18-9-8-17(25)12-27-18/h5-12,15,26H,1-4H3,(H2,29,30,31,33,34) PQPMGLIHIHWSDM-UHFFFAOYSA-N 205364 US9249151, 10 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 217 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205364 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205364&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902646 321900955 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363724 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1cccc2nc(C)c(C)n12 InChI=1S/C24H24ClN7O2/c1-13-15(3)32-19(6-5-7-22(32)28-13)16-10-20(30-23(33)14(2)26-4)29-21(11-16)31-24(34)18-9-8-17(25)12-27-18/h5-12,14,26H,1-4H3,(H2,29,30,31,33,34) OHXWQHZHQZPUCS-UHFFFAOYSA-N 205365 US9249151, 11 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 10 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205365 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205365&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117914856 321900956 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363725 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1cccc2nn(C)c(C)c12 InChI=1S/C24H24ClN7O2/c1-13(26-3)23(33)29-20-10-15(17-6-5-7-18-22(17)14(2)32(4)31-18)11-21(28-20)30-24(34)19-9-8-16(25)12-27-19/h5-13,26H,1-4H3,(H2,28,29,30,33,34) LDCYOQDORMHQPW-UHFFFAOYSA-N 205366 US9249151, 12 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 188 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205366&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902418 321900957 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363726 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1cccc2n(C)nc(C)c12 InChI=1S/C24H24ClN7O2/c1-13-22-17(6-5-7-19(22)32(4)31-13)15-10-20(29-23(33)14(2)26-3)28-21(11-15)30-24(34)18-9-8-16(25)12-27-18/h5-12,14,26H,1-4H3,(H2,28,29,30,33,34) QMYOVGLYSKKPJK-UHFFFAOYSA-N 205367 US9249151, 13 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 391 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205367&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902812 321900958 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363727 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ncnc2cccc(F)c12 InChI=1S/C23H19ClFN7O2/c1-12(26-2)22(33)31-18-8-13(21-20-15(25)4-3-5-16(20)28-11-29-21)9-19(30-18)32-23(34)17-7-6-14(24)10-27-17/h3-12,26H,1-2H3,(H2,30,31,32,33,34) PUKQEAYHOGMUGF-UHFFFAOYSA-N 205368 US9249151, 14 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 24 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205368&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117903015 321900959 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363728 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ncnc2oc(C)c(C)c12 InChI=1S/C23H22ClN7O3/c1-11-13(3)34-23-19(11)20(27-10-28-23)14-7-17(30-21(32)12(2)25-4)29-18(8-14)31-22(33)16-6-5-15(24)9-26-16/h5-10,12,25H,1-4H3,(H2,29,30,31,32,33) LKSRMPSRUMPNMH-UHFFFAOYSA-N 205369 US9249151, 15 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 22 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205369&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902671 321900960 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363729 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ncnc2nc(C)n(C)c12 InChI=1S/C22H22ClN9O2/c1-11(24-3)21(33)30-16-7-13(18-19-20(27-10-26-18)28-12(2)32(19)4)8-17(29-16)31-22(34)15-6-5-14(23)9-25-15/h5-11,24H,1-4H3,(H2,29,30,31,33,34) IJFBEHQRNFJTIY-UHFFFAOYSA-N 205370 US9249151, 16 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 15 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205370&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117903048 321900961 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363730 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccccn2)n1)-c1nn(C)c2ncnc(N)c12 InChI=1S/C21H22N10O2/c1-11(23-2)20(32)28-14-8-12(17-16-18(22)25-10-26-19(16)31(3)30-17)9-15(27-14)29-21(33)13-6-4-5-7-24-13/h4-11,23H,1-3H3,(H2,22,25,26)(H2,27,28,29,32,33) ZGUKIXKOGCMXCM-UHFFFAOYSA-N 205371 US9249151, 17 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 340 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205371&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902366 321900962 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363731 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1cnc2cccc(Cl)n12 InChI=1S/C22H19Cl2N7O2/c1-12(25-2)21(32)29-18-8-13(16-11-27-20-5-3-4-17(24)31(16)20)9-19(28-18)30-22(33)15-7-6-14(23)10-26-15/h3-12,25H,1-2H3,(H2,28,29,30,32,33) CYWOHIFFMYGOOT-UHFFFAOYSA-N 205372 US9249151, 18 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 78 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205372&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902411 321900963 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363732 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(OC)ccc2ccccc12 InChI=1S/C26H24ClN5O3/c1-15(28-2)25(33)31-22-12-17(24-19-7-5-4-6-16(19)8-11-21(24)35-3)13-23(30-22)32-26(34)20-10-9-18(27)14-29-20/h4-15,28H,1-3H3,(H2,30,31,32,33,34) GRKIXIAYZKUHAG-UHFFFAOYSA-N 205373 US9249151, 19 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 4967 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205373&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902913 321900964 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363733 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(OC)ccc2nccnc12 InChI=1S/C24H22ClN7O3/c1-13(26-2)23(33)31-19-10-14(21-18(35-3)7-6-16-22(21)28-9-8-27-16)11-20(30-19)32-24(34)17-5-4-15(25)12-29-17/h4-13,26H,1-3H3,(H2,30,31,32,33,34) YXPUGWDOIYHMPF-UHFFFAOYSA-N 205374 US9249151, 20 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 2286 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205374&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902286 321900965 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363734 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nc(C)nc2c(C)nn(C)c12 InChI=1S/C23H24ClN9O2/c1-11-19-21(33(5)32-11)20(28-13(3)27-19)14-8-17(30-22(34)12(2)25-4)29-18(9-14)31-23(35)16-7-6-15(24)10-26-16/h6-10,12,25H,1-5H3,(H2,29,30,31,34,35) YCZXNWIFFVKUST-UHFFFAOYSA-N 205375 US9249151, 21::US9249151, 60 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 32 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205375&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902756 321900966 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363735 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ncnc2cccc(Cl)c12 InChI=1S/C23H19Cl2N7O2/c1-12(26-2)22(33)31-18-8-13(21-20-15(25)4-3-5-16(20)28-11-29-21)9-19(30-18)32-23(34)17-7-6-14(24)10-27-17/h3-12,26H,1-2H3,(H2,30,31,32,33,34) GPLUFFCHRLQSIM-UHFFFAOYSA-N 205376 US9249151, 22 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 108 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205376&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902684 321900967 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363736 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ccnc2cc(F)cc(F)c12 InChI=1S/C24H19ClF2N6O2/c1-12(28-2)23(34)32-20-7-13(16-5-6-29-19-10-15(26)9-17(27)22(16)19)8-21(31-20)33-24(35)18-4-3-14(25)11-30-18/h3-12,28H,1-2H3,(H2,31,32,33,34,35) NHQKASIVXKUPSG-UHFFFAOYSA-N 205377 US9249151, 23::US9249151, 25 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 120 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205377&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902781 321900968 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363737 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(OC)ccc2nccc(C)c12 InChI=1S/C26H25ClN6O3/c1-14-9-10-29-18-7-8-20(36-4)24(23(14)18)16-11-21(32-25(34)15(2)28-3)31-22(12-16)33-26(35)19-6-5-17(27)13-30-19/h5-13,15,28H,1-4H3,(H2,31,32,33,34,35) IBRYMJBDGGJIRW-UHFFFAOYSA-N 205378 US9249151, 24 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 145 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205378&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902191 321900969 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363738 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ccnc2cc(F)cc(F)c12 InChI=1S/C24H19ClF2N6O2/c1-12(28-2)23(34)32-20-7-13(16-5-6-29-19-10-15(26)9-17(27)22(16)19)8-21(31-20)33-24(35)18-4-3-14(25)11-30-18/h3-12,28H,1-2H3,(H2,31,32,33,34,35) NHQKASIVXKUPSG-UHFFFAOYSA-N 205377 US9249151, 23::US9249151, 25 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1090 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205377&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902781 321900968 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363739 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(C)nc(C)c2c1n(C)n(C)c2=O InChI=1S/C25H27ClN8O3/c1-12-20(22-21(13(2)29-12)25(37)34(6)33(22)5)15-9-18(31-23(35)14(3)27-4)30-19(10-15)32-24(36)17-8-7-16(26)11-28-17/h7-11,14,27H,1-6H3,(H2,30,31,32,35,36) COPSRHRBHAWSBY-UHFFFAOYSA-N 205380 US9249151, 26 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 15 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205380&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902834 321900970 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363740 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(Cl)c(C)nc2cc(Cl)cc(Cl)c12 InChI=1S/C25H20Cl4N6O2/c1-11-23(29)21(22-16(28)8-15(27)9-18(22)32-11)13-6-19(34-24(36)12(2)30-3)33-20(7-13)35-25(37)17-5-4-14(26)10-31-17/h4-10,12,30H,1-3H3,(H2,33,34,35,36,37) QSWBPRYYQFPUIM-UHFFFAOYSA-N 205381 US9249151, 27 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 2021 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205381&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902759 321900971 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363741 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cc3COCc3cn2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C27H26N6O3/c1-15-6-7-21-20(5-4-8-29-21)25(15)17-10-23(32-26(34)16(2)28-3)31-24(11-17)33-27(35)22-9-18-13-36-14-19(18)12-30-22/h4-12,16,28H,13-14H2,1-3H3,(H2,31,32,33,34,35) BCJTWVDDSDMSCM-UHFFFAOYSA-N 205382 US9249151, 28 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1025 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205382&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117914854 321900972 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363742 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(C)cn2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C26H26N6O2/c1-15-7-9-21(29-14-15)26(34)32-23-13-18(12-22(30-23)31-25(33)17(3)27-4)24-16(2)8-10-20-19(24)6-5-11-28-20/h5-14,17,27H,1-4H3,(H2,30,31,32,33,34) QSBIQYGGMUZIPL-UHFFFAOYSA-N 205383 US9249151, 29 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 748 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205383&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902831 321900973 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363743 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(cn2)C#N)n1)-c1c(C)ccc2ncccc12 InChI=1S/C26H23N7O2/c1-15-6-8-20-19(5-4-10-29-20)24(15)18-11-22(32-25(34)16(2)28-3)31-23(12-18)33-26(35)21-9-7-17(13-27)14-30-21/h4-12,14,16,28H,1-3H3,(H2,31,32,33,34,35) OYTXJMVVXLXMRO-UHFFFAOYSA-N 205384 US9249151, 30 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 2099 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205384&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902876 321900974 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363744 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ncc3ccccc3n2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C28H25N7O2/c1-16-10-11-22-20(8-6-12-30-22)25(16)19-13-23(34-27(36)17(2)29-3)33-24(14-19)35-28(37)26-31-15-18-7-4-5-9-21(18)32-26/h4-15,17,29H,1-3H3,(H2,33,34,35,36,37) AUIVGJBMEPRHDB-UHFFFAOYSA-N 205385 US9249151, 31 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1107 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205385&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902793 321900975 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363745 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(F)cn2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C25H23FN6O2/c1-14-6-8-19-18(5-4-10-28-19)23(14)16-11-21(31-24(33)15(2)27-3)30-22(12-16)32-25(34)20-9-7-17(26)13-29-20/h4-13,15,27H,1-3H3,(H2,30,31,32,33,34) ZQTJQULIIBVEJW-UHFFFAOYSA-N 205386 US9249151, 32 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 385 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205386&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902842 321900976 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363746 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(OC)cn2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C26H26N6O3/c1-15-7-9-20-19(6-5-11-28-20)24(15)17-12-22(31-25(33)16(2)27-3)30-23(13-17)32-26(34)21-10-8-18(35-4)14-29-21/h5-14,16,27H,1-4H3,(H2,30,31,32,33,34) KMPCWPUCUBJSGL-UHFFFAOYSA-N 205387 US9249151, 33 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 395 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205387&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117903301 321900977 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363747 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cnc(C)cn2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C25H25N7O2/c1-14-7-8-19-18(6-5-9-27-19)23(14)17-10-21(31-24(33)16(3)26-4)30-22(11-17)32-25(34)20-13-28-15(2)12-29-20/h5-13,16,26H,1-4H3,(H2,30,31,32,33,34) AQTKUKHPOGGZTB-UHFFFAOYSA-N 205388 US9249151, 34 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 2738 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205388&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117903086 321900978 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363748 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cc3ccccc3cn2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C29H26N6O2/c1-17-10-11-23-22(9-6-12-31-23)27(17)21-14-25(34-28(36)18(2)30-3)33-26(15-21)35-29(37)24-13-19-7-4-5-8-20(19)16-32-24/h4-16,18,30H,1-3H3,(H2,33,34,35,36,37) SMEKLBAFIFJRDE-UHFFFAOYSA-N 205389 US9249151, 35 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 3637 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205389&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902504 321900979 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363749 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc3ccccc3n2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C29H26N6O2/c1-17-10-12-23-21(8-6-14-31-23)27(17)20-15-25(34-28(36)18(2)30-3)33-26(16-20)35-29(37)24-13-11-19-7-4-5-9-22(19)32-24/h4-16,18,30H,1-3H3,(H2,33,34,35,36,37) ZNTOBKQXMCRVBA-UHFFFAOYSA-N 205390 US9249151, 36 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 4289 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205390 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205390&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902540 321900980 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363750 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccncn2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C24H23N7O2/c1-14-6-7-18-17(5-4-9-27-18)22(14)16-11-20(30-23(32)15(2)25-3)29-21(12-16)31-24(33)19-8-10-26-13-28-19/h4-13,15,25H,1-3H3,(H2,29,30,31,32,33) BHCOUEILXIDMOA-UHFFFAOYSA-N 205391 US9249151, 37 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1801 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205391&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902702 321900981 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363751 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cc3ccccc3o2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C28H25N5O3/c1-16-10-11-21-20(8-6-12-30-21)26(16)19-14-24(32-27(34)17(2)29-3)31-25(15-19)33-28(35)23-13-18-7-4-5-9-22(18)36-23/h4-15,17,29H,1-3H3,(H2,31,32,33,34,35) IUTNDFOJIKRUHP-UHFFFAOYSA-N 205392 US9249151, 38 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1471 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205392&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902933 321900982 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363752 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccccn2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C25H24N6O2/c1-15-9-10-19-18(7-6-12-27-19)23(15)17-13-21(30-24(32)16(2)26-3)29-22(14-17)31-25(33)20-8-4-5-11-28-20/h4-14,16,26H,1-3H3,(H2,29,30,31,32,33) CATNWFMLXOWVII-UHFFFAOYSA-N 205393 US9249151, 39 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1418 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205393&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902711 321900983 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363753 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cccc(C)n2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C26H26N6O2/c1-15-10-11-20-19(8-6-12-28-20)24(15)18-13-22(31-25(33)17(3)27-4)30-23(14-18)32-26(34)21-9-5-7-16(2)29-21/h5-14,17,27H,1-4H3,(H2,30,31,32,33,34) HVHBWZXNVDISAT-UHFFFAOYSA-N 205394 US9249151, 40 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 2576 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205394&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117903126 321900984 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363754 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccn(C)n2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C24H25N7O2/c1-14-7-8-18-17(6-5-10-26-18)22(14)16-12-20(28-23(32)15(2)25-3)27-21(13-16)29-24(33)19-9-11-31(4)30-19/h5-13,15,25H,1-4H3,(H2,27,28,29,32,33) UJJWUHDHLVFILG-UHFFFAOYSA-N 205395 US9249151, 41 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 2769 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205395&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902773 321900985 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363755 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cc(Cl)ccn2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C25H23ClN6O2/c1-14-6-7-19-18(5-4-9-28-19)23(14)16-11-21(31-24(33)15(2)27-3)30-22(12-16)32-25(34)20-13-17(26)8-10-29-20/h4-13,15,27H,1-3H3,(H2,30,31,32,33,34) GWGWLYLMQXOREL-UHFFFAOYSA-N 205396 US9249151, 42 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 5922 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205396&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902971 321900986 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363756 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cccnn2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C24H23N7O2/c1-14-8-9-18-17(6-4-10-26-18)22(14)16-12-20(29-23(32)15(2)25-3)28-21(13-16)30-24(33)19-7-5-11-27-31-19/h4-13,15,25H,1-3H3,(H2,28,29,30,32,33) HIXKOIASPWPFDI-UHFFFAOYSA-N 205397 US9249151, 43 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 2156 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205397&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902825 321900987 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363757 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc3cnccc3c2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C29H26N6O2/c1-17-6-9-24-23(5-4-11-32-24)27(17)22-14-25(34-28(36)18(2)30-3)33-26(15-22)35-29(37)20-7-8-21-16-31-12-10-19(21)13-20/h4-16,18,30H,1-3H3,(H2,33,34,35,36,37) ZMXCKSLCBWSLAO-UHFFFAOYSA-N 205398 US9249151, 44 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 5959 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205398&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902660 321900988 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363758 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cn(C)cn2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C24H25N7O2/c1-14-7-8-18-17(6-5-9-26-18)22(14)16-10-20(29-23(32)15(2)25-3)28-21(11-16)30-24(33)19-12-31(4)13-27-19/h5-13,15,25H,1-4H3,(H2,28,29,30,32,33) IGXOXIRLVRMMJI-UHFFFAOYSA-N 205399 US9249151, 45 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 8717 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205399&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902907 321900989 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363759 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cc(on2)-c2ccccc2)n1)-c1c(C)ccc2ncccc12 InChI=1S/C29H26N6O3/c1-17-11-12-22-21(10-7-13-31-22)27(17)20-14-25(33-28(36)18(2)30-3)32-26(15-20)34-29(37)23-16-24(38-35-23)19-8-5-4-6-9-19/h4-16,18,30H,1-3H3,(H2,32,33,34,36,37) CMJRGQLVPKBRRL-UHFFFAOYSA-N 205400 US9249151, 46 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 9574 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205400&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902820 321900990 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363760 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1ccncc1C InChI=1S/C21H21ClN6O2/c1-12-10-24-7-6-16(12)14-8-18(27-20(29)13(2)23-3)26-19(9-14)28-21(30)17-5-4-15(22)11-25-17/h4-11,13,23H,1-3H3,(H2,26,27,28,29,30) NJZXOXISKOZHHD-UHFFFAOYSA-N 205401 US9249151, 47 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 561 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205401&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117903275 321900991 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363761 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cc3COCc3cn2)n1)-c1cccc2nc(C)c(C)n12 InChI=1S/C26H27N7O3/c1-14-16(3)33-21(6-5-7-24(33)29-14)17-9-22(31-25(34)15(2)27-4)30-23(10-17)32-26(35)20-8-18-12-36-13-19(18)11-28-20/h5-11,15,27H,12-13H2,1-4H3,(H2,30,31,32,34,35) GTPMMBWSPNDKSG-UHFFFAOYSA-N 205402 US9249151, 48 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 41 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205402&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117903123 321900992 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363762 CNC(C)C(=O)Nc1cc(cc(NC(=O)Cc2ccccc2)n1)-c1cccc2nc(C)c(C)n12 InChI=1S/C26H28N6O2/c1-16-18(3)32-21(11-8-12-24(32)28-16)20-14-22(29-23(15-20)31-26(34)17(2)27-4)30-25(33)13-19-9-6-5-7-10-19/h5-12,14-15,17,27H,13H2,1-4H3,(H2,29,30,31,33,34) WYOZIYTYBAQHRF-UHFFFAOYSA-N 205403 US9249151, 49 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 164 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205403&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902639 321900993 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363763 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2cc3ccccc3[nH]2)n1)-c1cccc2nc(C)c(C)n12 205404 US9249151, 50 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 317 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205404&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902995 321900994 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363764 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(OC)cn2)n1)-c1cccc2nc(C)c(C)n12 InChI=1S/C25H27N7O3/c1-14-16(3)32-20(7-6-8-23(32)28-14)17-11-21(30-24(33)15(2)26-4)29-22(12-17)31-25(34)19-10-9-18(35-5)13-27-19/h6-13,15,26H,1-5H3,(H2,29,30,31,33,34) KIBLJMCETUHRSJ-UHFFFAOYSA-N 205405 US9249151, 51 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 15 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205405&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902661 321900995 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363765 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1cncc2ccn(C)c12 InChI=1S/C23H22ClN7O2/c1-13(25-2)22(32)29-19-8-15(17-12-26-10-14-6-7-31(3)21(14)17)9-20(28-19)30-23(33)18-5-4-16(24)11-27-18/h4-13,25H,1-3H3,(H2,28,29,30,32,33) PGUWLFVOCFDUHZ-UHFFFAOYSA-N 205406 US9249151, 52 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 40 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205406&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902822 321900996 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363766 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1cccc2cncc(C)c12 InChI=1S/C25H23ClN6O2/c1-14-11-28-12-16-5-4-6-19(23(14)16)17-9-21(31-24(33)15(2)27-3)30-22(10-17)32-25(34)20-8-7-18(26)13-29-20/h4-13,15,27H,1-3H3,(H2,30,31,32,33,34) SOZXCUHRCMBRSI-UHFFFAOYSA-N 205407 US9249151, 53 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 115 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205407&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117914855 321900997 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363767 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1c(Cl)cnc2ccccc12 InChI=1S/C24H20Cl2N6O2/c1-13(27-2)23(33)31-20-9-14(22-16-5-3-4-6-18(16)29-12-17(22)26)10-21(30-20)32-24(34)19-8-7-15(25)11-28-19/h3-13,27H,1-2H3,(H2,30,31,32,33,34) GMMQYLICBHTHGS-UHFFFAOYSA-N 205408 US9249151, 54 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 231 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205408&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902433 321900998 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363768 CC(N)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-n1ccc2cccc(C)c12 InChI=1S/C23H21ClN6O2/c1-13-4-3-5-15-8-9-30(21(13)15)17-10-19(28-22(31)14(2)25)27-20(11-17)29-23(32)18-7-6-16(24)12-26-18/h3-12,14H,25H2,1-2H3,(H2,27,28,29,31,32) KFHCXGVMKFRQOC-UHFFFAOYSA-N 205409 US9249151, 55 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 5052 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205409&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902737 321900999 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363769 CC(N)C(=O)Nc1cc(Cl)cc(NC(=O)c2ccccn2)n1 InChI=1S/C14H14ClN5O2/c1-8(16)13(21)19-11-6-9(15)7-12(18-11)20-14(22)10-4-2-3-5-17-10/h2-8H,16H2,1H3,(H2,18,19,20,21,22) ZCWCDZGQFPATQN-UHFFFAOYSA-N 205410 US9249151, 56 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 15120 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205410&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902638 321901000 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363770 CC(N)C(=O)Nc1cccc(NC(=O)c2ccc(C)cn2)n1 InChI=1S/C15H17N5O2/c1-9-6-7-11(17-8-9)15(22)20-13-5-3-4-12(18-13)19-14(21)10(2)16/h3-8,10H,16H2,1-2H3,(H2,18,19,20,21,22) ROVZMWSOFDHYRD-UHFFFAOYSA-N 205411 US9249151, 57 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 7329 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205411&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902761 321901001 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363771 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nccc2c1n(C)n(C)c2=O InChI=1S/C23H23ClN8O3/c1-12(25-2)21(33)29-17-9-13(19-20-15(7-8-26-19)23(35)32(4)31(20)3)10-18(28-17)30-22(34)16-6-5-14(24)11-27-16/h5-12,25H,1-4H3,(H2,28,29,30,33,34) SGRAOLYSYQCFFM-UHFFFAOYSA-N 205412 US9249151, 58 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 116 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205412&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902938 321901002 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363772 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nc(C)nc2c(C)c(C)n(C)c12 InChI=1S/C25H27ClN8O2/c1-12-14(3)34(6)23-21(12)29-15(4)30-22(23)16-9-19(32-24(35)13(2)27-5)31-20(10-16)33-25(36)18-8-7-17(26)11-28-18/h7-11,13,27H,1-6H3,(H2,31,32,33,35,36) FCWUYYPTTRQZJI-UHFFFAOYSA-N 205413 US9249151, 59 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 10 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205413&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90659741 321901003 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363773 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nc(C)nc2c(C)nn(C)c12 InChI=1S/C23H24ClN9O2/c1-11-19-21(33(5)32-11)20(28-13(3)27-19)14-8-17(30-22(34)12(2)25-4)29-18(9-14)31-23(35)16-7-6-15(24)10-26-16/h6-10,12,25H,1-5H3,(H2,29,30,31,34,35) YCZXNWIFFVKUST-UHFFFAOYSA-N 205375 US9249151, 21::US9249151, 60 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205375&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902756 321900966 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363774 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ncc(Cl)cc2C)n1)-c1ncnc2c(C)nn(C)c12 InChI=1S/C23H24ClN9O2/c1-11-6-15(24)9-26-18(11)23(35)31-17-8-14(7-16(29-17)30-22(34)13(3)25-4)20-21-19(27-10-28-20)12(2)32-33(21)5/h6-10,13,25H,1-5H3,(H2,29,30,31,34,35) ALNLPAIJAAORAJ-UHFFFAOYSA-N 205415 US9249151, 61 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 32 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205415&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902740 321901004 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363775 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ncc(Cl)cc2F)n1)-c1nc(C)nc2c(C)nn(C)c12 InChI=1S/C23H23ClFN9O2/c1-10-18-21(34(5)33-10)19(29-12(3)28-18)13-6-16(31-22(35)11(2)26-4)30-17(7-13)32-23(36)20-15(25)8-14(24)9-27-20/h6-9,11,26H,1-5H3,(H2,30,31,32,35,36) NSFLHGPXAPXKSS-UHFFFAOYSA-N 205416 US9249151, 62 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 50 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205416&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902613 321901005 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 363776 CNC(C)C(=O)Nc1cc(cc(NC(=O)c2ccc(Cl)cn2)n1)-c1nc(OC)nc2c(C)nn(C)c12 InChI=1S/C23H24ClN9O3/c1-11-18-20(33(4)32-11)19(31-23(30-18)36-5)13-8-16(28-21(34)12(2)25-3)27-17(9-13)29-22(35)15-7-6-14(24)10-26-15/h6-10,12,25H,1-5H3,(H2,27,28,29,34,35) ZRIVTYCCLPMNRZ-UHFFFAOYSA-N 205417 US9249151, 63 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1 25.00 C US Patent 10.7270/Q24748P2 aid1802208 US9249151 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205417&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117903430 321901006 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375151 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2n(C)ncc2c1)-c1ncnc2c(C)nn(C)c12 InChI=1S/C26H25N9O/c1-15-23-25(35(5)33-15)24(29-14-28-23)18-11-20(31-22(12-18)32-26(36)16(2)27-3)8-6-17-7-9-21-19(10-17)13-30-34(21)4/h7,9-14,16,27H,1-5H3,(H,31,32,36)/t16-/m1/s1 LMNLBOFXCQQZHK-MRXNPFEDSA-N 213366 US9278978, 1 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 72 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213366 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213366&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201767 329728887 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375152 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1ncnc2c(C)nn(C)c12 InChI=1S/C28H26N8O/c1-16-23-9-7-19(12-20(23)10-11-30-16)6-8-22-13-21(14-24(33-22)34-28(37)18(3)29-4)26-27-25(31-15-32-26)17(2)35-36(27)5/h7,9-15,18,29H,1-5H3,(H,33,34,37)/t18-/m1/s1 BFJRQYOXKDJOAD-GOSISDBHSA-N 213367 US9278978, 2 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 123 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213367 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213367&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201768 329728888 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375153 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1cc(C)nc2c(F)cccc12)-c1ncnc2c(C)nn(C)c12 InChI=1S/C28H25FN8O/c1-15-11-18(21-7-6-8-22(29)26(21)33-15)9-10-20-12-19(13-23(34-20)35-28(38)17(3)30-4)25-27-24(31-14-32-25)16(2)36-37(27)5/h6-8,11-14,17,30H,1-5H3,(H,34,35,38)/t17-/m1/s1 HVHRROJQIZQHJX-QGZVFWFLSA-N 213368 US9278978, 3 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 70 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213368 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213368&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201769 329728889 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375154 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccn2c(C)ncc2c1)-c1ncnc2c(C)nn(C)c12 InChI=1S/C26H25N9O/c1-15-23-25(34(5)33-15)24(30-14-29-23)19-11-20(31-22(12-19)32-26(36)16(2)27-4)7-6-18-8-9-35-17(3)28-13-21(35)10-18/h8-14,16,27H,1-5H3,(H,31,32,36)/t16-/m1/s1 ZHJDTJNSIZPBCQ-MRXNPFEDSA-N 213369 US9278978, 4 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 95 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213369 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213369&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201770 329728890 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375155 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1c(OC)ccc2nc(C)ccc12 InChI=1S/C28H26N4O2/c1-18-10-13-23-24(30-18)14-15-25(34-4)27(23)21-16-22(12-11-20-8-6-5-7-9-20)31-26(17-21)32-28(33)19(2)29-3/h5-10,13-17,19,29H,1-4H3,(H,31,32,33)/t19-/m1/s1 KRWDYMJZMRNHCX-LJQANCHMSA-N 213370 US9278978, 5 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 79 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213370 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213370&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201771 329728891 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375156 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1ncnc2cnn(C)c12 InChI=1S/C27H24N8O/c1-16-22-8-6-18(11-19(22)9-10-29-16)5-7-21-12-20(13-24(33-21)34-27(36)17(2)28-3)25-26-23(30-15-31-25)14-32-35(26)4/h6,8-15,17,28H,1-4H3,(H,33,34,36)/t17-/m1/s1 AFNPHJOFGDZGGL-QGZVFWFLSA-N 213371 US9278978, 6 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 50 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213371&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201772 329728892 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375157 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1ncnc2cnn(C)c12 InChI=1S/C23H21N7O/c1-15(24-2)23(31)29-20-12-17(21-22-19(25-14-26-21)13-27-30(22)3)11-18(28-20)10-9-16-7-5-4-6-8-16/h4-8,11-15,24H,1-3H3,(H,28,29,31)/t15-/m1/s1 YBZIUCCRKJMKFE-OAHLLOKOSA-N 213372 US9278978, 7 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 12 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213372&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201773 329728893 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375158 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2n(C)c(=O)ccc2c1)-c1ncnc2cnn(C)c12 InChI=1S/C27H24N8O2/c1-16(28-2)27(37)33-23-13-19(25-26-21(29-15-30-25)14-31-35(26)4)12-20(32-23)8-5-17-6-9-22-18(11-17)7-10-24(36)34(22)3/h6-7,9-16,28H,1-4H3,(H,32,33,37)/t16-/m1/s1 NICRIMMNOCVZDK-MRXNPFEDSA-N 213373 US9278978, 8 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 222 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213373&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201774 329728894 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375159 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc(cc1)-n1cnc(C)c1)-c1ncnc2cnn(C)c12 InChI=1S/C27H25N9O/c1-17-14-36(16-31-17)22-9-6-19(7-10-22)5-8-21-11-20(12-24(33-21)34-27(37)18(2)28-3)25-26-23(29-15-30-25)13-32-35(26)4/h6-7,9-16,18,28H,1-4H3,(H,33,34,37)/t18-/m1/s1 MGNFGDSTJAIDEC-GOSISDBHSA-N 213374 US9278978, 9 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 94 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213374&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201775 329728895 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375160 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1ncnc2oc(C)c(C)c12 InChI=1S/C25H23N5O2/c1-15-17(3)32-25-22(15)23(27-14-28-25)19-12-20(11-10-18-8-6-5-7-9-18)29-21(13-19)30-24(31)16(2)26-4/h5-9,12-14,16,26H,1-4H3,(H,29,30,31)/t16-/m1/s1 KKAHHENNYGUCJF-MRXNPFEDSA-N 213375 US9278978, 10 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 26 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213375&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201776 329728896 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375161 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1cccc2nc(C)c(C)n12 InChI=1S/C30H28N6O/c1-18-21(4)36-27(7-6-8-29(36)33-18)24-16-25(34-28(17-24)35-30(37)20(3)31-5)11-9-22-10-12-26-19(2)32-14-13-23(26)15-22/h6-8,10,12-17,20,31H,1-5H3,(H,34,35,37)/t20-/m1/s1 YSWMEDPQKFWVOU-HXUWFJFHSA-N 213376 US9278978, 11 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 57 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213376&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201777 329728897 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375162 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2N(C)C(=O)Cc2c1)-c1cccc2cnn(C)c12 InChI=1S/C28H26N6O2/c1-17(29-2)28(36)32-25-14-20(23-7-5-6-19-16-30-34(4)27(19)23)13-22(31-25)10-8-18-9-11-24-21(12-18)15-26(35)33(24)3/h5-7,9,11-14,16-17,29H,15H2,1-4H3,(H,31,32,36)/t17-/m1/s1 VIAJWVFURJEYIO-QGZVFWFLSA-N 213377 US9278978, 12 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 2050 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213377 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213377&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201778 329728898 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375163 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1cnc2cccc(C)n12 InChI=1S/C29H26N6O/c1-18-6-5-7-28-32-17-26(35(18)28)23-15-24(33-27(16-23)34-29(36)20(3)30-4)10-8-21-9-11-25-19(2)31-13-12-22(25)14-21/h5-7,9,11-17,20,30H,1-4H3,(H,33,34,36)/t20-/m1/s1 AIQXARIAIKEUED-HXUWFJFHSA-N 213378 US9278978, 13 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 143 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213378&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201779 329728899 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375164 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1c(C)nc(C)c2c1n(C)n(C)c2=O InChI=1S/C31H31N7O2/c1-17-25-11-9-21(14-22(25)12-13-33-17)8-10-24-15-23(16-26(35-24)36-30(39)20(4)32-5)27-18(2)34-19(3)28-29(27)37(6)38(7)31(28)40/h9,11-16,20,32H,1-7H3,(H,35,36,39)/t20-/m1/s1 BMRSDMCDPNGFRU-HXUWFJFHSA-N 213379 US9278978, 14 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 29 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213379 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213379&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201780 329728900 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375165 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2n(C)c(=O)ccc2c1)-c1nc(C)nc2c(C)nn(C)c12 InChI=1S/C29H28N8O2/c1-16-26-28(37(6)35-16)27(32-18(3)31-26)21-14-22(33-24(15-21)34-29(39)17(2)30-4)10-7-19-8-11-23-20(13-19)9-12-25(38)36(23)5/h8-9,11-15,17,30H,1-6H3,(H,33,34,39)/t17-/m1/s1 NJZSVYYBBZWHGJ-QGZVFWFLSA-N 213380 US9278978, 15 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 247 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213380 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213380&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201781 329728901 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375166 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1nc(C)nc2c(C)nn(C)c12 InChI=1S/C29H28N8O/c1-16-24-10-8-20(13-21(24)11-12-31-16)7-9-23-14-22(15-25(34-23)35-29(38)18(3)30-5)27-28-26(32-19(4)33-27)17(2)36-37(28)6/h8,10-15,18,30H,1-6H3,(H,34,35,38)/t18-/m1/s1 FWARKFCRMQWMOT-GOSISDBHSA-N 213381 US9278978, 16 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 151 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213381 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213381&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201782 329728902 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375167 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2n(C)ncc2c1)-c1nc(C)nc2c(C)nn(C)c12 InChI=1S/C27H27N9O/c1-15-24-26(36(6)34-15)25(31-17(3)30-24)19-12-21(32-23(13-19)33-27(37)16(2)28-4)9-7-18-8-10-22-20(11-18)14-29-35(22)5/h8,10-14,16,28H,1-6H3,(H,32,33,37)/t16-/m1/s1 GHBSPBBGKWVANQ-MRXNPFEDSA-N 213382 US9278978, 17 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 58 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213382 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213382&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201783 329728903 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375168 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1nc(C)nc2nn(C)c(C)c12 InChI=1S/C29H28N8O/c1-16-24-10-8-20(13-21(24)11-12-31-16)7-9-23-14-22(15-25(34-23)35-29(38)17(2)30-5)27-26-18(3)37(6)36-28(26)33-19(4)32-27/h8,10-15,17,30H,1-6H3,(H,34,35,38)/t17-/m1/s1 QGGDHYLQLDPUCF-QGZVFWFLSA-N 213383 US9278978, 18 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 42 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213383 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213383&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201784 329728904 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375169 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2n(C)c(=O)ccc2c1)-c1nc(C)nc2nn(C)c(C)c12 InChI=1S/C29H28N8O2/c1-16(30-4)29(39)34-24-15-21(27-26-17(2)37(6)35-28(26)32-18(3)31-27)14-22(33-24)10-7-19-8-11-23-20(13-19)9-12-25(38)36(23)5/h8-9,11-16,30H,1-6H3,(H,33,34,39)/t16-/m1/s1 YGGSGHUSONEQIX-MRXNPFEDSA-N 213384 US9278978, 19 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 299 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213384 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213384&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201785 329728905 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375170 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2n(C)ncc2c1)-c1nc(C)nc2nn(C)c(C)c12 InChI=1S/C27H27N9O/c1-15(28-4)27(37)33-23-13-19(25-24-16(2)35(5)34-26(24)31-17(3)30-25)12-21(32-23)9-7-18-8-10-22-20(11-18)14-29-36(22)6/h8,10-15,28H,1-6H3,(H,32,33,37)/t15-/m1/s1 CNOMFIPZZNVEGQ-OAHLLOKOSA-N 213385 US9278978, 20 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 50 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213385&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201786 329728906 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375171 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1cnc(nc1)-n1cnc(C)c1)-c1nc(C)nc2nn(C)c(C)c12 InChI=1S/C27H27N11O/c1-15-13-38(14-31-15)27-29-11-19(12-30-27)7-8-21-9-20(10-22(34-21)35-26(39)16(2)28-5)24-23-17(3)37(6)36-25(23)33-18(4)32-24/h9-14,16,28H,1-6H3,(H,34,35,39)/t16-/m1/s1 VKHIIHCOKPKPJZ-MRXNPFEDSA-N 213386 US9278978, 21 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 158 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213386&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201787 329728907 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375172 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1cccs1)-c1nc(C)nc2nn(C)c(C)c12 InChI=1S/C23H23N7OS/c1-13(24-4)23(31)28-19-12-16(11-17(27-19)8-9-18-7-6-10-32-18)21-20-14(2)30(5)29-22(20)26-15(3)25-21/h6-7,10-13,24H,1-5H3,(H,27,28,31)/t13-/m1/s1 IBWORPBOOKEPEY-CYBMUJFWSA-N 213387 US9278978, 22 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 10 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213387&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201788 329728908 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375173 CN[C@H](C)C(=O)Nc1cc(c(Cl)c(n1)C#Cc1ccc2c(C)nccc2c1)-c1cccc2cnn(C)c12 InChI=1S/C29H25ClN6O/c1-17-22-10-8-19(14-20(22)12-13-32-17)9-11-25-27(30)24(15-26(34-25)35-29(37)18(2)31-3)23-7-5-6-21-16-33-36(4)28(21)23/h5-8,10,12-16,18,31H,1-4H3,(H,34,35,37)/t18-/m1/s1 YKJNAKXBIBHQOG-GOSISDBHSA-N 213389 US9278978, 24 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 5402 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213389 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213389&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201789 329728909 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375174 CN[C@H](C)C(=O)Nc1cc(c(OC)c(n1)C#Cc1ccccc1)-c1cccc2cnn(C)c12 InChI=1S/C26H25N5O2/c1-17(27-2)26(32)30-23-15-21(20-12-8-11-19-16-28-31(3)24(19)20)25(33-4)22(29-23)14-13-18-9-6-5-7-10-18/h5-12,15-17,27H,1-4H3,(H,29,30,32)/t17-/m1/s1 OANSFXRLESWTDA-QGZVFWFLSA-N 213391 US9278978, 26 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 129 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213391 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213391&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201791 329728911 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375175 CN[C@H](C)C(=O)Nc1cc(c(OC)c(n1)C#Cc1ccccc1)-c1cccc2ncccc12 InChI=1S/C27H24N4O2/c1-18(28-2)27(32)31-25-17-22(20-11-7-13-23-21(20)12-8-16-29-23)26(33-3)24(30-25)15-14-19-9-5-4-6-10-19/h4-13,16-18,28H,1-3H3,(H,30,31,32)/t18-/m1/s1 QSBUXIGJZOGXND-GOSISDBHSA-N 213392 US9278978, 27 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 99 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213392 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213392&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201792 329728912 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375176 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1ccncc1 InChI=1S/C22H20N4O/c1-16(23-2)22(27)26-21-15-19(18-10-12-24-13-11-18)14-20(25-21)9-8-17-6-4-3-5-7-17/h3-7,10-16,23H,1-2H3,(H,25,26,27)/t16-/m1/s1 RBSMYTAOKXMXCT-MRXNPFEDSA-N 213393 US9278978, 28 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 350 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213393&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201793 329728913 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375177 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1cncc(F)c1 InChI=1S/C22H19FN4O/c1-15(24-2)22(28)27-21-12-17(18-10-19(23)14-25-13-18)11-20(26-21)9-8-16-6-4-3-5-7-16/h3-7,10-15,24H,1-2H3,(H,26,27,28)/t15-/m1/s1 WWOPSFBVKIRPOW-OAHLLOKOSA-N 213394 US9278978, 29 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 840 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213394&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201794 329728914 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375178 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1ccc(nc1)C(F)(F)F InChI=1S/C23H19F3N4O/c1-15(27-2)22(31)30-21-13-18(17-9-11-20(28-14-17)23(24,25)26)12-19(29-21)10-8-16-6-4-3-5-7-16/h3-7,9,11-15,27H,1-2H3,(H,29,30,31)/t15-/m1/s1 LLVBVBWCSVPCSN-OAHLLOKOSA-N 213395 US9278978, 30 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1811 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213395&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201795 329728915 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375179 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1ccc(OC)nc1 InChI=1S/C23H22N4O2/c1-16(24-2)23(28)27-21-14-19(18-10-12-22(29-3)25-15-18)13-20(26-21)11-9-17-7-5-4-6-8-17/h4-8,10,12-16,24H,1-3H3,(H,26,27,28)/t16-/m1/s1 SQIFKCAJUJSUEH-MRXNPFEDSA-N 213396 US9278978, 31 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 711 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213396&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201796 329728916 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375180 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1ccccc1F InChI=1S/C23H20FN3O/c1-16(25-2)23(28)27-22-15-18(20-10-6-7-11-21(20)24)14-19(26-22)13-12-17-8-4-3-5-9-17/h3-11,14-16,25H,1-2H3,(H,26,27,28)/t16-/m1/s1 LBYIBCNUYBAFDG-MRXNPFEDSA-N 213397 US9278978, 32 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 10250 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213397 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213397&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201797 329728917 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375181 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1ccccc1 InChI=1S/C23H21N3O/c1-17(24-2)23(27)26-22-16-20(19-11-7-4-8-12-19)15-21(25-22)14-13-18-9-5-3-6-10-18/h3-12,15-17,24H,1-2H3,(H,25,26,27)/t17-/m1/s1 DAVNQHGJTKFWQY-QGZVFWFLSA-N 213398 US9278978, 33 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 5492 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213398&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201798 329728918 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375182 CN[C@H](C)C(=O)Nc1cc(cc(n1)C#Cc1ccccc1)-c1cccnc1 InChI=1S/C22H20N4O/c1-16(23-2)22(27)26-21-14-19(18-9-6-12-24-15-18)13-20(25-21)11-10-17-7-4-3-5-8-17/h3-9,12-16,23H,1-2H3,(H,25,26,27)/t16-/m1/s1 SLKMQNYWZPFZQO-MRXNPFEDSA-N 213399 US9278978, 34 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 485 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213399 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213399&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 124201799 329728919 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375183 CNC(C)C(=O)Nc1cc(-c2ccncc2)c(-c2cncnc2)c(n1)C#Cc1ccccc1 InChI=1S/C26H22N6O/c1-18(27-2)26(33)32-24-14-22(20-10-12-28-13-11-20)25(21-15-29-17-30-16-21)23(31-24)9-8-19-6-4-3-5-7-19/h3-7,10-18,27H,1-2H3,(H,31,32,33) GZIWFKGJVGGFDO-UHFFFAOYSA-N 213400 US9278978, 35 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 103 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213400 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213400&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117903526 329728920 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375184 CNC(C)C(=O)Nc1cc(-c2cccnc2)c(-c2cncnc2)c(n1)C#Cc1ccccc1 InChI=1S/C26H22N6O/c1-18(27-2)26(33)32-24-13-22(20-9-6-12-28-14-20)25(21-15-29-17-30-16-21)23(31-24)11-10-19-7-4-3-5-8-19/h3-9,12-18,27H,1-2H3,(H,31,32,33) PQOANAVBEFTKCD-UHFFFAOYSA-N 213401 US9278978, 36 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 100 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213401 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213401&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902821 329728921 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375185 CCNC(CC)C(=O)Nc1cc(cc(n1)C#Cc1ccc2c(C)nccc2c1)-c1ncnc2c(C)nn(C)c12 InChI=1S/C30H30N8O/c1-6-25(31-7-2)30(39)36-26-16-22(28-29-27(33-17-34-28)19(4)37-38(29)5)15-23(35-26)10-8-20-9-11-24-18(3)32-13-12-21(24)14-20/h9,11-17,25,31H,6-7H2,1-5H3,(H,35,36,39) GEJGWYOHCBQTRW-UHFFFAOYSA-N 213402 US9278978, 37 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 2879 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213402 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213402&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902529 329728922 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375186 CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1ccc2nc(C)ccc2c1)-c1ncnc2c(C)nn(C)c12 InChI=1S/C28H26N8O/c1-16-6-9-20-12-19(8-11-23(20)32-16)7-10-22-13-21(14-24(33-22)34-28(37)18(3)29-4)26-27-25(30-15-31-26)17(2)35-36(27)5/h6,8-9,11-15,18,29H,1-5H3,(H,33,34,37) ARTUOGQVGICVCP-UHFFFAOYSA-N 213403 US9278978, 38 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 131 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213403 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213403&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902416 329728923 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375187 CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1cc(C)nc(C)c1)-c1ncnc2c(C)nn(C)c12 InChI=1S/C25H26N8O/c1-14-9-18(10-15(2)29-14)7-8-20-11-19(12-21(30-20)31-25(34)17(4)26-5)23-24-22(27-13-28-23)16(3)32-33(24)6/h9-13,17,26H,1-6H3,(H,30,31,34) OJRHRPFWEXAEQA-UHFFFAOYSA-N 213404 US9278978, 39 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 57 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213404 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213404&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902782 329728924 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375188 CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1cc(F)cc(F)c1)-c1ncnc2c(C)nn(C)c12 InChI=1S/C24H21F2N7O/c1-13-21-23(33(4)32-13)22(29-12-28-21)16-9-19(6-5-15-7-17(25)11-18(26)8-15)30-20(10-16)31-24(34)14(2)27-3/h7-12,14,27H,1-4H3,(H,30,31,34) ANPZZTBOYZYRBL-UHFFFAOYSA-N 213405 US9278978, 40 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213405 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213405&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902968 329728925 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375189 CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1ccc(cc1)-n1cnc(C)c1)-c1ncnc2c(C)nn(C)c12 InChI=1S/C28H27N9O/c1-17-14-37(16-32-17)23-10-7-20(8-11-23)6-9-22-12-21(13-24(33-22)34-28(38)19(3)29-4)26-27-25(30-15-31-26)18(2)35-36(27)5/h7-8,10-16,19,29H,1-5H3,(H,33,34,38) WELBXKPSYNELDG-UHFFFAOYSA-N 213406 US9278978, 41 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 105 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213406&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117903121 329728926 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375190 CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1cc(F)c2ncccc2c1)-c1ncnc2c(C)nn(C)c12 InChI=1S/C27H23FN8O/c1-15-23-26(36(4)35-15)25(32-14-31-23)19-12-20(33-22(13-19)34-27(37)16(2)29-3)8-7-17-10-18-6-5-9-30-24(18)21(28)11-17/h5-6,9-14,16,29H,1-4H3,(H,33,34,37) VKKPWLVOASHEOF-UHFFFAOYSA-N 213407 US9278978, 42 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 73 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213407&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117902628 329728927 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 375191 CNC(C)C(=O)Nc1cc(cc(n1)C#Cc1cnc2n(C)ncc2c1)-c1ncnc2c(C)nn(C)c12 InChI=1S/C25H24N10O/c1-14-21-23(34(4)33-14)22(29-13-28-21)17-9-19(31-20(10-17)32-25(36)15(2)26-3)7-6-16-8-18-12-30-35(5)24(18)27-11-16/h8-13,15,26H,1-5H3,(H,31,32,36) LZTIERJQVROKAK-UHFFFAOYSA-N 213408 US9278978, 43 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 231 25.00 C US Patent 10.7270/Q2JM28G4 aid1802407 US9278978 Reiser, U; Madden, J Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=213408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=213408&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117903158 329728928 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414261 CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(=O)NCCC(O)=O)N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C29H31BrN4O7/c1-16(31-2)27(37)33-22-15-41-26-20(28(38)32-12-11-25(35)36)5-4-6-23(26)34(29(22)39)14-21-19-9-8-18(30)13-17(19)7-10-24(21)40-3/h4-10,13,16,22,31H,11-12,14-15H2,1-3H3,(H,32,38)(H,33,37)(H,35,36)/t16-,22-/m0/s1 QXWFRZXIEMDIMN-AOMKIAJQSA-N 237638 US9394263, 50 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237638 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237638&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73054852 340131107 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414262 CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(=O)NCc2ccc(cc2)C(=O)OC)N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C35H35BrN4O7/c1-20(37-2)32(41)39-28-19-47-31-26(33(42)38-17-21-8-10-22(11-9-21)35(44)46-4)6-5-7-29(31)40(34(28)43)18-27-25-14-13-24(36)16-23(25)12-15-30(27)45-3/h5-16,20,28,37H,17-19H2,1-4H3,(H,38,42)(H,39,41)/t20-,28-/m0/s1 BLONQRBSZCSXHN-MMTVBGGISA-N 237639 US9394263, 51 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237639 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237639&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73054853 340131108 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414263 CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(O)=O)N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)C1=O InChI=1S/C27H27N3O8/c1-14(28-2)24(31)29-20-13-38-23-18(27(35)36)5-4-6-21(23)30(25(20)32)12-19-17-9-7-16(26(33)34)11-15(17)8-10-22(19)37-3/h4-11,14,20,28H,12-13H2,1-3H3,(H,29,31)(H,33,34)(H,35,36)/t14-,20-/m0/s1 UBDIHOBHGQIEPP-XOBRGWDASA-N 237640 US9394263, 52 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237640 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237640&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73054855 340131109 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414264 CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(=O)N(C)CCO)N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)C1=O InChI=1S/C30H34N4O8/c1-17(31-2)27(36)32-23-16-42-26-21(28(37)33(3)12-13-35)6-5-7-24(26)34(29(23)38)15-22-20-10-8-19(30(39)40)14-18(20)9-11-25(22)41-4/h5-11,14,17,23,31,35H,12-13,15-16H2,1-4H3,(H,32,36)(H,39,40)/t17-,23-/m0/s1 KCOWEPRSFVLMKN-SBUREZEXSA-N 237641 US9394263, 53 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237641&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73054857 340131110 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414265 CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(O)=O)N(Cc2ccc(Br)c3ccccc23)C1=O InChI=1S/C25H24BrN3O5/c1-14(27-2)23(30)28-20-13-34-22-18(25(32)33)8-5-9-21(22)29(24(20)31)12-15-10-11-19(26)17-7-4-3-6-16(15)17/h3-11,14,20,27H,12-13H2,1-2H3,(H,28,30)(H,32,33)/t14-,20-/m0/s1 SUBSTMCCUIICSI-XOBRGWDASA-N 237642 US9394263, 54 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237642&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73055134 340131111 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414266 CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(=O)N2CCN(CCO)CC2)N(Cc2ccc(Br)c3ccccc23)C1=O InChI=1S/C31H36BrN5O5/c1-20(33-2)29(39)34-26-19-42-28-24(30(40)36-14-12-35(13-15-36)16-17-38)8-5-9-27(28)37(31(26)41)18-21-10-11-25(32)23-7-4-3-6-22(21)23/h3-11,20,26,33,38H,12-19H2,1-2H3,(H,34,39)/t20-,26-/m0/s1 VLWUWJOMYZATBO-FNZWTVRRSA-N 237643 US9394263, 55 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237643&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73055135 340131112 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414267 CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(=O)N2CCN(CCCO)CC2)N(Cc2ccc(Br)c3ccccc23)C1=O InChI=1S/C32H38BrN5O5/c1-21(34-2)30(40)35-27-20-43-29-25(31(41)37-16-14-36(15-17-37)13-6-18-39)9-5-10-28(29)38(32(27)42)19-22-11-12-26(33)24-8-4-3-7-23(22)24/h3-5,7-12,21,27,34,39H,6,13-20H2,1-2H3,(H,35,40)/t21-,27-/m0/s1 FTLFWECWQDBFNU-IDISGSTGSA-N 237644 US9394263, 56 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237644&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73055136 340131113 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414268 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(Cl)n(-c3ccccc3C#N)c3ccccc23)C1=O InChI=1S/C29H26ClN5O3/c1-18(32-2)28(36)33-22-17-38-26-14-8-7-13-25(26)34(29(22)37)16-21-20-10-4-6-12-24(20)35(27(21)30)23-11-5-3-9-19(23)15-31/h3-14,18,22,32H,16-17H2,1-2H3,(H,33,36)/t18-,22-/m0/s1 IHVOEWKFQHMHHV-AVRDEDQJSA-N 237645 US9394263, 57 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 37160 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237645&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73055137 340131114 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414269 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3n(ccc23)-c2ccccc2C#N)C1=O InChI=1S/C29H27N5O3/c1-19(31-2)28(35)32-23-18-37-27-13-6-5-11-26(27)34(29(23)36)17-21-9-7-12-25-22(21)14-15-33(25)24-10-4-3-8-20(24)16-30/h3-15,19,23,31H,17-18H2,1-2H3,(H,32,35)/t19-,23-/m0/s1 XVSPJSXQUDWMJL-CVDCTZTESA-N 237646 US9394263, 58 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237646&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73055138 340131115 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414270 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(Cl)n(c3ccccc23)S(=O)(=O)c2ccccc2)C1=O InChI=1S/C28H27ClN4O5S/c1-18(30-2)27(34)31-22-17-38-25-15-9-8-14-24(25)32(28(22)35)16-21-20-12-6-7-13-23(20)33(26(21)29)39(36,37)19-10-4-3-5-11-19/h3-15,18,22,30H,16-17H2,1-2H3,(H,31,34)/t18-,22-/m0/s1 OWLACGCWCXSYAA-AVRDEDQJSA-N 237647 US9394263, 59 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 17190 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237647&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73055427 340131116 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414271 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3CN(Cc23)S(C)(=O)=O)C1=O InChI=1S/C23H28N4O5S/c1-15(24-2)22(28)25-19-14-32-21-10-5-4-9-20(21)27(23(19)29)12-17-8-6-7-16-11-26(13-18(16)17)33(3,30)31/h4-10,15,19,24H,11-14H2,1-3H3,(H,25,28)/t15-,19-/m0/s1 IVBUOINKIBZNHL-KXBFYZLASA-N 237648 US9394263, 60 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 53210 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237648&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060610 340131117 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414272 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cc(=O)n(C)c3ccc(F)cc23)C1=O InChI=1S/C24H25FN4O4/c1-14(26-2)23(31)27-18-13-33-21-7-5-4-6-20(21)29(24(18)32)12-15-10-22(30)28(3)19-9-8-16(25)11-17(15)19/h4-11,14,18,26H,12-13H2,1-3H3,(H,27,31)/t14-,18-/m0/s1 PMDXADUCFFKNBG-KSSFIOAISA-N 237649 US9394263, 61 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237649 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237649&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73055430 340131118 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414273 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(Cl)n(Cc3ccccc3)c3ccccc23)C1=O InChI=1S/C29H29ClN4O3/c1-19(31-2)28(35)32-23-18-37-26-15-9-8-14-25(26)34(29(23)36)17-22-21-12-6-7-13-24(21)33(27(22)30)16-20-10-4-3-5-11-20/h3-15,19,23,31H,16-18H2,1-2H3,(H,32,35)/t19-,23-/m0/s1 IOHRCWWNKMUJHT-CVDCTZTESA-N 237650 US9394263, 62 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 12980 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237650&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90037779 340131119 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414274 CCN1C(=O)Cc2c1cccc2CN1c2ccccc2OC[C@H](NC(=O)[C@H](C)NC)C1=O InChI=1S/C24H28N4O4/c1-4-27-19-10-7-8-16(17(19)12-22(27)29)13-28-20-9-5-6-11-21(20)32-14-18(24(28)31)26-23(30)15(2)25-3/h5-11,15,18,25H,4,12-14H2,1-3H3,(H,26,30)/t15-,18-/m0/s1 FJKGNKQMJJKBRW-YJBOKZPZSA-N 237651 US9394263, 63 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237651&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73055432 340131120 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414275 C[C@H](N)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3n(ncc23)-c2ccccc2C#N)C1=O InChI=1S/C27H24N6O3/c1-17(29)26(34)31-21-16-36-25-12-5-4-10-24(25)32(27(21)35)15-19-8-6-11-23-20(19)14-30-33(23)22-9-3-2-7-18(22)13-28/h2-12,14,17,21H,15-16,29H2,1H3,(H,31,34)/t17-,21-/m0/s1 WKHYVISBSHMTKP-UWJYYQICSA-N 237652 US9394263, 64 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237652&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060606 340131121 C03803 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414276 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3n(c(cc23)C#N)-c2ccccc2C#N)C1=O InChI=1S/C30H26N6O3/c1-19(33-2)29(37)34-24-18-39-28-13-6-5-11-27(28)35(30(24)38)17-21-9-7-12-26-23(21)14-22(16-32)36(26)25-10-4-3-8-20(25)15-31/h3-14,19,24,33H,17-18H2,1-2H3,(H,34,37)/t19-,24-/m0/s1 POIRGBLAIOEGMB-CYFREDJKSA-N 237653 US9394263, 65 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 13630 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237653&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060641 340131122 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414277 C[C@H](NC1COC1)C(=O)N[C@H]1COc2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O InChI=1S/C30H28N6O4/c1-19(32-21-16-39-17-21)29(37)33-24-18-40-28-13-7-6-12-27(28)35(30(24)38)15-23-22-9-3-5-11-26(22)36(34-23)25-10-4-2-8-20(25)14-31/h2-13,19,21,24,32H,15-18H2,1H3,(H,33,37)/t19-,24-/m0/s1 PGJMPWDEKYBAAZ-CYFREDJKSA-N 237654 US9394263, 66 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237654&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73055732 340131123 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414278 C[C@H](NCC(C)(C)O)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3n(ncc23)-c2ccccc2C#N)C1=O InChI=1S/C31H32N6O4/c1-20(33-19-31(2,3)40)29(38)35-24-18-41-28-14-7-6-12-27(28)36(30(24)39)17-22-10-8-13-26-23(22)16-34-37(26)25-11-5-4-9-21(25)15-32/h4-14,16,20,24,33,40H,17-19H2,1-3H3,(H,35,38)/t20-,24-/m0/s1 MIQFPRXCDOPCKU-RDPSFJRHSA-N 237655 US9394263, 67 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237655&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060724 340131124 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414279 C[C@H](NCCO)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3n(ncc23)-c2ccccc2C#N)C1=O InChI=1S/C29H28N6O4/c1-19(31-13-14-36)28(37)33-23-18-39-27-12-5-4-10-26(27)34(29(23)38)17-21-8-6-11-25-22(21)16-32-35(25)24-9-3-2-7-20(24)15-30/h2-12,16,19,23,31,36H,13-14,17-18H2,1H3,(H,33,37)/t19-,23-/m0/s1 NUMQYQPKPFUALH-CVDCTZTESA-N 237656 US9394263, 68 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237656&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060578 340131125 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414280 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3n(ncc23)-c2ccccc2C#N)c2ccccc2OC11CCOCC1 InChI=1S/C32H32N6O4/c1-21(34-2)30(39)36-29-31(40)37(27-11-5-6-13-28(27)42-32(29)14-16-41-17-15-32)20-23-9-7-12-26-24(23)19-35-38(26)25-10-4-3-8-22(25)18-33/h3-13,19,21,29,34H,14-17,20H2,1-2H3,(H,36,39)/t21-,29+/m0/s1 KZUUTKNHIHFFEC-KCWXNJEJSA-N 237657 US9394263, 69 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >53100 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237657&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060670 340131126 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414281 CCN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3n(ncc23)-c2ccccc2C#N)C1=O InChI=1S/C29H28N6O3/c1-3-31-19(2)28(36)33-23-18-38-27-14-7-6-12-26(27)34(29(23)37)17-21-10-8-13-25-22(21)16-32-35(25)24-11-5-4-9-20(24)15-30/h4-14,16,19,23,31H,3,17-18H2,1-2H3,(H,33,36)/t19-,23-/m0/s1 AUFVXUDNOWJJDV-CVDCTZTESA-N 237679 US9394263, 70 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237679 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237679&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 129012535 340131148 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414282 CCN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cc(F)cc3n(ncc23)-c2ccccc2C#N)C1=O InChI=1S/C29H27FN6O3/c1-3-32-18(2)28(37)34-23-17-39-27-11-7-6-10-25(27)35(29(23)38)16-20-12-21(30)13-26-22(20)15-33-36(26)24-9-5-4-8-19(24)14-31/h4-13,15,18,23,32H,3,16-17H2,1-2H3,(H,34,37)/t18-,23-/m0/s1 NSAFEIQIDVWJTB-MBSDFSHPSA-N 237658 US9394263, 71 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237658 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237658&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060671 340131127 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414283 CCN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cc(Br)cc3n(ncc23)-c2ccccc2C#N)C1=O InChI=1S/C29H27BrN6O3/c1-3-32-18(2)28(37)34-23-17-39-27-11-7-6-10-25(27)35(29(23)38)16-20-12-21(30)13-26-22(20)15-33-36(26)24-9-5-4-8-19(24)14-31/h4-13,15,18,23,32H,3,16-17H2,1-2H3,(H,34,37)/t18-,23-/m0/s1 OGWWABSRIAKEMM-MBSDFSHPSA-N 237659 US9394263, 72 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237659 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237659&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060741 340131128 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414284 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3n(c(cc23)C#N)-c2ccccc2C#N)c2ccccc2OC11CCOCC1 InChI=1S/C34H32N6O4/c1-22(37-2)32(41)38-31-33(42)39(29-11-5-6-13-30(29)44-34(31)14-16-43-17-15-34)21-24-9-7-12-28-26(24)18-25(20-36)40(28)27-10-4-3-8-23(27)19-35/h3-13,18,22,31,37H,14-17,21H2,1-2H3,(H,38,41)/t22-,31+/m0/s1 NOHIOXNNRUHMPA-WKRVVKTRSA-N 237660 US9394263, 73 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 2863 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237660 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237660&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060642 340131129 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414285 CCN[C@@H](C)C(=O)N[C@H]1[C@H](C)Oc2ccccc2N(Cc2cccc3n(ncc23)-c2ccccc2C#N)C1=O InChI=1S/C30H30N6O3/c1-4-32-19(2)29(37)34-28-20(3)39-27-15-8-7-13-26(27)35(30(28)38)18-22-11-9-14-25-23(22)17-33-36(25)24-12-6-5-10-21(24)16-31/h5-15,17,19-20,28,32H,4,18H2,1-3H3,(H,34,37)/t19-,20-,28-/m0/s1 QDXYUTXYOLYCMB-JVAKCPTJSA-N 237661 US9394263, 74 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237661 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237661&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586173 340131130 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414286 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3n(c(cc23)C#N)-c2ccccc2C#N)c2ccccc2SC1(C)C InChI=1S/C32H30N6O2S/c1-20(35-4)30(39)36-29-31(40)37(27-13-7-8-15-28(27)41-32(29,2)3)19-22-11-9-14-26-24(22)16-23(18-34)38(26)25-12-6-5-10-21(25)17-33/h5-16,20,29,35H,19H2,1-4H3,(H,36,39)/t20-,29+/m0/s1 DECOJDQHNHTGTL-AFJIDDCJSA-N 237662 US9394263, 75 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 43560 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237662 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237662&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060652 340131131 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414287 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)Oc2ccccc2N(Cc2cccc3n(c(cc23)C#N)-c2ccccc2C#N)C1=O InChI=1S/C31H28N6O3/c1-19(34-3)30(38)35-29-20(2)40-28-14-7-6-12-27(28)36(31(29)39)18-22-10-8-13-26-24(22)15-23(17-33)37(26)25-11-5-4-9-21(25)16-32/h4-15,19-20,29,34H,18H2,1-3H3,(H,35,38)/t19-,20-,29-/m0/s1 KHKFKZNJPUHKFA-SGHJWQDXSA-N 237663 US9394263, 76 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 13810 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237663 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237663&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060662 340131132 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414288 CCN[C@@H](C)C(=O)N[C@H]1[C@H](C)Oc2ccccc2N(Cc2cccc3n(c(cc23)C#N)-c2ccccc2C#N)C1=O InChI=1S/C32H30N6O3/c1-4-35-20(2)31(39)36-30-21(3)41-29-15-8-7-13-28(29)37(32(30)40)19-23-11-9-14-27-25(23)16-24(18-34)38(27)26-12-6-5-10-22(26)17-33/h5-16,20-21,30,35H,4,19H2,1-3H3,(H,36,39)/t20-,21-,30-/m0/s1 INAYPXBFUPXVKY-LPBFERMMSA-N 237664 US9394263, 77 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237664 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237664&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060675 340131133 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414289 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3n(ncc23)-c2ccccc2C#N)c2ccc(Br)cc2OC11CCOCC1 InChI=1S/C32H31BrN6O4/c1-20(35-2)30(40)37-29-31(41)38(27-11-10-23(33)16-28(27)43-32(29)12-14-42-15-13-32)19-22-7-5-9-26-24(22)18-36-39(26)25-8-4-3-6-21(25)17-34/h3-11,16,18,20,29,35H,12-15,19H2,1-2H3,(H,37,40)/t20-,29+/m0/s1 WLCBYDQXWPRQBT-AFJIDDCJSA-N 237665 US9394263, 78 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 13100 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237665 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237665&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060676 340131134 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414290 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2nn(-c3ccccc3C#N)c3ccccc23)c2ccc(cc2OC11CCOCC1)C#N InChI=1S/C33H31N7O4/c1-21(36-2)31(41)37-30-32(42)39(28-12-11-22(18-34)17-29(28)44-33(30)13-15-43-16-14-33)20-25-24-8-4-6-10-27(24)40(38-25)26-9-5-3-7-23(26)19-35/h3-12,17,21,30,36H,13-16,20H2,1-2H3,(H,37,41)/t21-,30+/m0/s1 VHZOTCUSUQHZSC-URAOTHONSA-N 237666 US9394263, 79 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 15200 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237666 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237666&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73056597 340131135 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414291 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)Oc2ccccc2N(Cc2cccc3n(ncc23)-c2ccc(cc2C#N)C(O)=O)C1=O InChI=1S/C30H28N6O5/c1-17(32-3)28(37)34-27-18(2)41-26-10-5-4-8-25(26)35(29(27)38)16-20-7-6-9-24-22(20)15-33-36(24)23-12-11-19(30(39)40)13-21(23)14-31/h4-13,15,17-18,27,32H,16H2,1-3H3,(H,34,37)(H,39,40)/t17-,18-,27-/m0/s1 UABHKXRZUPPGRI-VFUKXHBFSA-N 237667 US9394263, 80 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237667 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237667&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060674 340131136 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414292 CCNC(=O)c1ccc(c(c1)C#N)-n1ncc2c(CN3c4ccccc4O[C@@H](C)[C@H](NC(=O)[C@H](C)NC)C3=O)cccc12 InChI=1S/C32H33N7O4/c1-5-35-31(41)21-13-14-25(23(15-21)16-33)39-26-11-8-9-22(24(26)17-36-39)18-38-27-10-6-7-12-28(27)43-20(3)29(32(38)42)37-30(40)19(2)34-4/h6-15,17,19-20,29,34H,5,18H2,1-4H3,(H,35,41)(H,37,40)/t19-,20-,29-/m0/s1 OICHJWNMJNGMBK-SGHJWQDXSA-N 237668 US9394263, 81 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237668 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237668&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060740 340131137 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414293 CC[C@H](NC)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C26H28BrN3O4/c1-4-20(28-2)25(31)29-21-15-34-24-8-6-5-7-22(24)30(26(21)32)14-19-18-11-10-17(27)13-16(18)9-12-23(19)33-3/h5-13,20-21,28H,4,14-15H2,1-3H3,(H,29,31)/t20-,21-/m0/s1 ZABPEKQABCBHGI-SFTDATJTSA-N 237669 US9394263, 82 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 16530 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237669 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237669&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72943442 340131138 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414294 CC[C@H](NCCO)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C27H30BrN3O5/c1-3-21(29-12-13-32)26(33)30-22-16-36-25-7-5-4-6-23(25)31(27(22)34)15-20-19-10-9-18(28)14-17(19)8-11-24(20)35-2/h4-11,14,21-22,29,32H,3,12-13,15-16H2,1-2H3,(H,30,33)/t21-,22-/m0/s1 QQUFUPCYPJPULX-VXKWHMMOSA-N 237670 US9394263, 83 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237670 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237670&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73056601 340131139 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414295 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2noc3ccccc23)c2ccccc2OC11CCOCC1 InChI=1S/C25H28N4O5/c1-16(26-2)23(30)27-22-24(31)29(15-18-17-7-3-5-9-20(17)34-28-18)19-8-4-6-10-21(19)33-25(22)11-13-32-14-12-25/h3-10,16,22,26H,11-15H2,1-2H3,(H,27,30)/t16-,22+/m0/s1 RJNKRXWCPPRDRL-KSFYIVLOSA-N 50441336 CHEMBL2431753::US9394263, 84 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441336 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441336&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72713169 175453653 CHEMBL2431753 ZINC96285022 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414296 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC(F)F)ccc3ccccc23)c2ccccc2OC11CCOCC1 InChI=1S/C29H31F2N3O5/c1-18(32-2)26(35)33-25-27(36)34(22-9-5-6-10-24(22)39-29(25)13-15-37-16-14-29)17-21-20-8-4-3-7-19(20)11-12-23(21)38-28(30)31/h3-12,18,25,28,32H,13-17H2,1-2H3,(H,33,35)/t18-,25+/m0/s1 GKZPMFPKQMBXTM-AVRWGWEMSA-N 50441339 CHEMBL2431750::US9394263, 85 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 36200 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441339 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441339&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72712973 175453656 CHEMBL2431750 ZINC96285025 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414297 CN[C@@H](C)C(=O)N[C@H]1C(=O)N(Cc2c(OC(F)F)ccc3ccccc23)c2ccccc2OC11CCOCC1 InChI=1S/C29H31F2N3O5/c1-18(32-2)26(35)33-25-27(36)34(22-9-5-6-10-24(22)39-29(25)13-15-37-16-14-29)17-21-20-8-4-3-7-19(20)11-12-23(21)38-28(30)31/h3-12,18,25,28,32H,13-17H2,1-2H3,(H,33,35)/t18-,25-/m0/s1 GKZPMFPKQMBXTM-BVZFJXPGSA-N 237671 US9394263, 86 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237671 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237671&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060686 340131140 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414298 CN[C@@H](C)C(=O)N[C@H]1COc2c(F)cccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C25H25BrFN3O4/c1-14(28-2)24(31)29-20-13-34-23-19(27)5-4-6-21(23)30(25(20)32)12-18-17-9-8-16(26)11-15(17)7-10-22(18)33-3/h4-11,14,20,28H,12-13H2,1-3H3,(H,29,31)/t14-,20-/m0/s1 RYQCPRFEDWNNIO-XOBRGWDASA-N 237672 US9394263, 87 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 32350 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237672 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237672&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73056909 340131141 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414299 CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(F)(F)F)N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C26H25BrF3N3O4/c1-14(31-2)24(34)32-20-13-37-23-19(26(28,29)30)5-4-6-21(23)33(25(20)35)12-18-17-9-8-16(27)11-15(17)7-10-22(18)36-3/h4-11,14,20,31H,12-13H2,1-3H3,(H,32,34)/t14-,20-/m0/s1 YBXQKLWFRGIZLS-XOBRGWDASA-N 237673 US9394263, 88 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 23440 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237673 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237673&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73056911 340131142 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414300 CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(F)(F)F)N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C26H26F3N3O3/c1-15-11-12-17-7-4-5-8-18(17)19(15)13-32-22-10-6-9-20(26(27,28)29)23(22)35-14-21(25(32)34)31-24(33)16(2)30-3/h4-12,16,21,30H,13-14H2,1-3H3,(H,31,33)/t16-,21-/m0/s1 KRNCBQUHOCAEBO-KKSFZXQISA-N 237674 US9394263, 89 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 35990 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237674 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237674&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73056913 340131143 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414301 CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(F)(F)F)N(Cc2noc3ccccc23)C1=O InChI=1S/C22H21F3N4O4/c1-12(26-2)20(30)27-16-11-32-19-14(22(23,24)25)7-5-8-17(19)29(21(16)31)10-15-13-6-3-4-9-18(13)33-28-15/h3-9,12,16,26H,10-11H2,1-2H3,(H,27,30)/t12-,16-/m0/s1 SXPQQRPNTHDMSC-LRDDRELGSA-N 237675 US9394263, 90 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237675 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237675&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73056915 340131144 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414302 CN[C@@H](C)C(=O)N[C@H]1COc2c(Br)cccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C25H26BrN3O3/c1-15-11-12-17-7-4-5-8-18(17)19(15)13-29-22-10-6-9-20(26)23(22)32-14-21(25(29)31)28-24(30)16(2)27-3/h4-12,16,21,27H,13-14H2,1-3H3,(H,28,30)/t16-,21-/m0/s1 XPHDLVAVZMWLKT-KKSFZXQISA-N 237676 US9394263, 91 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 32410 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237676 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237676&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73056917 340131145 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414303 CN[C@@H](C)C(=O)N[C@H]1COc2c(C)cccc2N(Cc2c(OC)ccc3cc(C)ccc23)C1=O InChI=1S/C27H31N3O4/c1-16-9-11-20-19(13-16)10-12-24(33-5)21(20)14-30-23-8-6-7-17(2)25(23)34-15-22(27(30)32)29-26(31)18(3)28-4/h6-13,18,22,28H,14-15H2,1-5H3,(H,29,31)/t18-,22-/m0/s1 NTYSUSITGAPTCH-AVRDEDQJSA-N 237677 US9394263, 92 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 16810 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237677 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237677&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060683 340131146 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414171 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11CCCCC1 InChI=1S/C30H34BrN3O4/c1-19(32-2)28(35)33-27-29(36)34(18-23-22-13-12-21(31)17-20(22)11-14-25(23)37-3)24-9-5-6-10-26(24)38-30(27)15-7-4-8-16-30/h5-6,9-14,17,19,27,32H,4,7-8,15-16,18H2,1-3H3,(H,33,35)/t19-,27+/m0/s1 NPXQPTQRHDMBAF-UZTOHYMASA-N 237555 US9394263, 1 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237555 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237555&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73056304 340131025 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414172 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC1(C)C InChI=1S/C27H30BrN3O4/c1-16(29-4)25(32)30-24-26(33)31(21-8-6-7-9-23(21)35-27(24,2)3)15-20-19-12-11-18(28)14-17(19)10-13-22(20)34-5/h6-14,16,24,29H,15H2,1-5H3,(H,30,32)/t16-,24+/m0/s1 AIFKERXJRHIYEU-UPCLLVRISA-N 237556 US9394263, 1a E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 37035 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237556 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237556&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586169 340131026 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414173 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11CCNCC1 InChI=1S/C29H33BrN4O4/c1-18(31-2)27(35)33-26-28(36)34(17-22-21-10-9-20(30)16-19(21)8-11-24(22)37-3)23-6-4-5-7-25(23)38-29(26)12-14-32-15-13-29/h4-11,16,18,26,31-32H,12-15,17H2,1-3H3,(H,33,35)/t18-,26+/m0/s1 LLTJNOCLVXIVKU-HFJWLAOPSA-N 237557 US9394263, 1b E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 41545 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237557 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237557&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586226 340131027 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414174 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11CCCC1 InChI=1S/C29H32BrN3O4/c1-18(31-2)27(34)32-26-28(35)33(23-8-4-5-9-25(23)37-29(26)14-6-7-15-29)17-22-21-12-11-20(30)16-19(21)10-13-24(22)36-3/h4-5,8-13,16,18,26,31H,6-7,14-15,17H2,1-3H3,(H,32,34)/t18-,26+/m0/s1 UIEQCWRMMZYHBP-HFJWLAOPSA-N 237558 US9394263, 1c E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237558 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237558&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586161 340131028 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414175 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11CCN(CC1)S(C)(=O)=O InChI=1S/C30H35BrN4O6S/c1-19(32-2)28(36)33-27-29(37)35(18-23-22-11-10-21(31)17-20(22)9-12-25(23)40-3)24-7-5-6-8-26(24)41-30(27)13-15-34(16-14-30)42(4,38)39/h5-12,17,19,27,32H,13-16,18H2,1-4H3,(H,33,36)/t19-,27+/m0/s1 GQYKSKANNOJUJD-UZTOHYMASA-N 237559 US9394263, 1d E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 28835 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237559 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237559&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586227 340131029 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414176 CN[C@@H](C)C(=O)N[C@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11CCN(CC1)S(C)(=O)=O InChI=1S/C30H35BrN4O6S/c1-19(32-2)28(36)33-27-29(37)35(18-23-22-11-10-21(31)17-20(22)9-12-25(23)40-3)24-7-5-6-8-26(24)41-30(27)13-15-34(16-14-30)42(4,38)39/h5-12,17,19,27,32H,13-16,18H2,1-4H3,(H,33,36)/t19-,27-/m0/s1 GQYKSKANNOJUJD-PPHZAIPVSA-N 237560 US9394263, 1e E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237560 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237560&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586228 340131030 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414177 CN[C@@H](C)C(=O)N[C@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11CCOCC1 InChI=1S/C29H32BrN3O5/c1-18(31-2)27(34)32-26-28(35)33(17-22-21-10-9-20(30)16-19(21)8-11-24(22)36-3)23-6-4-5-7-25(23)38-29(26)12-14-37-15-13-29/h4-11,16,18,26,31H,12-15,17H2,1-3H3,(H,32,34)/t18-,26-/m0/s1 VUTQKGLPLFESJM-QYBDOPJKSA-N 237561 US9394263, 1f E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237561 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237561&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586164 340131031 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414178 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11CCOCC1 InChI=1S/C29H32BrN3O5/c1-18(31-2)27(34)32-26-28(35)33(17-22-21-10-9-20(30)16-19(21)8-11-24(22)36-3)23-6-4-5-7-25(23)38-29(26)12-14-37-15-13-29/h4-11,16,18,26,31H,12-15,17H2,1-3H3,(H,32,34)/t18-,26+/m0/s1 VUTQKGLPLFESJM-HFJWLAOPSA-N 50441341 CHEMBL2431766::US9394263, 1g E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 23465 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441341&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72712969 175453658 CHEMBL2431766 ZINC96285027 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414179 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11COC1 InChI=1S/C27H28BrN3O5/c1-16(29-2)25(32)30-24-26(33)31(21-6-4-5-7-23(21)36-27(24)14-35-15-27)13-20-19-10-9-18(28)12-17(19)8-11-22(20)34-3/h4-12,16,24,29H,13-15H2,1-3H3,(H,30,32)/t16-,24+/m0/s1 LOWUBHSNTBEJBT-UPCLLVRISA-N 237562 US9394263, 1h E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 36190 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237562 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237562&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586088 340131032 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414180 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC1(C)CSC InChI=1S/C28H32BrN3O4S/c1-17(30-3)26(33)31-25-27(34)32(22-8-6-7-9-24(22)36-28(25,2)16-37-5)15-21-20-12-11-19(29)14-18(20)10-13-23(21)35-4/h6-14,17,25,30H,15-16H2,1-5H3,(H,31,33)/t17-,25+,28?/m0/s1 OXAUMKDDACUXNV-YCMCFSNUSA-N 237563 US9394263, 1i E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 37320 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237563 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237563&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586089 340131033 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414181 CN[C@@H](C)C(=O)NC1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11CCCOC1 InChI=1S/C29H32BrN3O5/c1-18(31-2)27(34)32-26-28(35)33(16-22-21-11-10-20(30)15-19(21)9-12-24(22)36-3)23-7-4-5-8-25(23)38-29(26)13-6-14-37-17-29/h4-5,7-12,15,18,26,31H,6,13-14,16-17H2,1-3H3,(H,32,34)/t18-,26?,29?/m0/s1 MXKORMGTKSSRHB-RNWKXWIMSA-N 237564 US9394263, 1j E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 33030 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237564 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237564&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586165 340131034 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414182 CN[C@@H](C)C(=O)N[C@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11COC1 InChI=1S/C27H28BrN3O5/c1-16(29-2)25(32)30-24-26(33)31(21-6-4-5-7-23(21)36-27(24)14-35-15-27)13-20-19-10-9-18(28)12-17(19)8-11-22(20)34-3/h4-12,16,24,29H,13-15H2,1-3H3,(H,30,32)/t16-,24-/m0/s1 LOWUBHSNTBEJBT-FYSMJZIKSA-N 237565 US9394263, 1k E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237565 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237565&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586124 340131035 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414183 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2O[C@@]1(C)COC InChI=1S/C28H32BrN3O5/c1-17(30-3)26(33)31-25-27(34)32(22-8-6-7-9-24(22)37-28(25,2)16-35-4)15-21-20-12-11-19(29)14-18(20)10-13-23(21)36-5/h6-14,17,25,30H,15-16H2,1-5H3,(H,31,33)/t17-,25+,28-/m0/s1 QZAXSBDPPGLMSO-VFQAHANWSA-N 237566 US9394263, 1L E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 25525 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237566 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237566&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586167 340131036 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414184 CN[C@@H](C)C(=O)NC1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC1(C)CCOC InChI=1S/C29H34BrN3O5/c1-18(31-3)27(34)32-26-28(35)33(23-8-6-7-9-25(23)38-29(26,2)14-15-36-4)17-22-21-12-11-20(30)16-19(21)10-13-24(22)37-5/h6-13,16,18,26,31H,14-15,17H2,1-5H3,(H,32,34)/t18-,26?,29?/m0/s1 HUFPMPYJYWCFTH-RNWKXWIMSA-N 237567 US9394263, 1m E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237567 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237567&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586166 340131037 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414185 CC[C@H](N)C(=O)NC1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11CCCOC1 InChI=1S/C29H32BrN3O5/c1-3-22(31)27(34)32-26-28(35)33(16-21-20-11-10-19(30)15-18(20)9-12-24(21)36-2)23-7-4-5-8-25(23)38-29(26)13-6-14-37-17-29/h4-5,7-12,15,22,26H,3,6,13-14,16-17,31H2,1-2H3,(H,32,34)/t22-,26?,29?/m0/s1 TWUWLZYRYNXASN-ZVFZUAJQSA-N 237568 US9394263, 1n E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 46070 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237568&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118582221 340131038 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414186 COc1ccc2cc(Br)ccc2c1CN1c2ccccc2OC2(CCOCC2)[C@H](NC(=O)[C@@H](N)[C@H](C)O)C1=O InChI=1S/C29H32BrN3O6/c1-17(34)25(31)27(35)32-26-28(36)33(16-21-20-9-8-19(30)15-18(20)7-10-23(21)37-2)22-5-3-4-6-24(22)39-29(26)11-13-38-14-12-29/h3-10,15,17,25-26,34H,11-14,16,31H2,1-2H3,(H,32,35)/t17-,25-,26+/m0/s1 BVCJBHZLEXKSFD-CQEOPILBSA-N 237569 US9394263, 1o E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237569&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118582222 340131039 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414187 COc1ccc2cc(Br)ccc2c1CN1c2ccccc2OC2(CCOCC2)[C@@H](NC(=O)[C@@H](N)[C@H](C)O)C1=O InChI=1S/C29H32BrN3O6/c1-17(34)25(31)27(35)32-26-28(36)33(16-21-20-9-8-19(30)15-18(20)7-10-23(21)37-2)22-5-3-4-6-24(22)39-29(26)11-13-38-14-12-29/h3-10,15,17,25-26,34H,11-14,16,31H2,1-2H3,(H,32,35)/t17-,25-,26-/m0/s1 BVCJBHZLEXKSFD-ODKGLIOUSA-N 237570 US9394263, 1p E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237570&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118582223 340131040 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414188 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C)ccc3ccccc23)c2ccccc2OC11CCOCC1 InChI=1S/C29H33N3O4/c1-19-12-13-21-8-4-5-9-22(21)23(19)18-32-24-10-6-7-11-25(24)36-29(14-16-35-17-15-29)26(28(32)34)31-27(33)20(2)30-3/h4-13,20,26,30H,14-18H2,1-3H3,(H,31,33)/t20-,26+/m0/s1 VXFXZFWOSDPFED-RXFWQSSRSA-N 50441340 CHEMBL2431767::US9394263, 1q E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 48490 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441340 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441340&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72712971 175453657 CHEMBL2431767 ZINC96285026 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414189 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)cnc3ccccc23)c2ccccc2OC11CCOCC1 InChI=1S/C28H32N4O5/c1-18(29-2)26(33)31-25-27(34)32(17-20-19-8-4-5-9-21(19)30-16-24(20)35-3)22-10-6-7-11-23(22)37-28(25)12-14-36-15-13-28/h4-11,16,18,25,29H,12-15,17H2,1-3H3,(H,31,33)/t18-,25+/m0/s1 PCTAPXHACYCSMY-AVRWGWEMSA-N 50441337 CHEMBL2431752::US9394263, 1r E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 22760 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441337 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441337&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72713167 175453654 CHEMBL2431752 ZINC96285023 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414190 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2ccnc3ccccc23)c2ccccc2OC11CCOCC1 InChI=1S/C27H30N4O4/c1-18(28-2)25(32)30-24-26(33)31(17-19-11-14-29-21-8-4-3-7-20(19)21)22-9-5-6-10-23(22)35-27(24)12-15-34-16-13-27/h3-11,14,18,24,28H,12-13,15-17H2,1-2H3,(H,30,32)/t18-,24+/m0/s1 BVOIOXPROUZGOP-MHECFPHRSA-N 237571 US9394263, 1s E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 35060 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237571&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90036933 340131041 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414191 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3ncccc23)c2ccccc2OC11CCOCC1 InChI=1S/C27H30N4O4/c1-18(28-2)25(32)30-24-26(33)31(17-19-7-5-9-21-20(19)8-6-14-29-21)22-10-3-4-11-23(22)35-27(24)12-15-34-16-13-27/h3-11,14,18,24,28H,12-13,15-17H2,1-2H3,(H,30,32)/t18-,24+/m0/s1 WDWMVEXKPQRARH-MHECFPHRSA-N 237572 US9394263, 1t E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 36690 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237572&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060625 340131042 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414192 CC(C)N1c2ccccc2OC2(CCOCC2)[C@H](NC(=O)[C@H](C)N)C1=O InChI=1S/C19H27N3O4/c1-12(2)22-14-6-4-5-7-15(14)26-19(8-10-25-11-9-19)16(18(22)24)21-17(23)13(3)20/h4-7,12-13,16H,8-11,20H2,1-3H3,(H,21,23)/t13-,16+/m0/s1 BWNMOYNIACGQFQ-XJKSGUPXSA-N 237573 US9394263, 1u E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237573&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118582224 340131043 C03803 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414193 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(C(C)C)c2ccccc2OC11CCOCC1 InChI=1S/C20H29N3O4/c1-13(2)23-15-7-5-6-8-16(15)27-20(9-11-26-12-10-20)17(19(23)25)22-18(24)14(3)21-4/h5-8,13-14,17,21H,9-12H2,1-4H3,(H,22,24)/t14-,17+/m0/s1 WZDTUXLPMXNSTO-WMLDXEAASA-N 237574 US9394263, 1v E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237574&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060715 340131044 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414194 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OCC(F)(F)F)ccc3ccccc23)c2ccccc2OC11CCOCC1 InChI=1S/C30H32F3N3O5/c1-19(34-2)27(37)35-26-28(38)36(23-9-5-6-10-25(23)41-29(26)13-15-39-16-14-29)17-22-21-8-4-3-7-20(21)11-12-24(22)40-18-30(31,32)33/h3-12,19,26,34H,13-18H2,1-2H3,(H,35,37)/t19-,26+/m0/s1 HIOJLABPFOUZCO-AFMDSPMNSA-N 237575 US9394263, 1w E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237575&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060717 340131045 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414195 CN[C@@H](C)C(=O)NC1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11CCNC1 InChI=1S/C28H31BrN4O4/c1-17(30-2)26(34)32-25-27(35)33(22-6-4-5-7-24(22)37-28(25)12-13-31-16-28)15-21-20-10-9-19(29)14-18(20)8-11-23(21)36-3/h4-11,14,17,25,30-31H,12-13,15-16H2,1-3H3,(H,32,34)/t17-,25?,28?/m0/s1 SQLBMJAHKLVVEE-PXAXTTATSA-N 237576 US9394263, 1x E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 38380 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237576&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060719 340131046 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414196 CN[C@@H](C)C(=O)N[C@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2O[C@@]11CCOC1 InChI=1S/C28H30BrN3O5/c1-17(30-2)26(33)31-25-27(34)32(22-6-4-5-7-24(22)37-28(25)12-13-36-16-28)15-21-20-10-9-19(29)14-18(20)8-11-23(21)35-3/h4-11,14,17,25,30H,12-13,15-16H2,1-3H3,(H,31,33)/t17-,25-,28+/m0/s1 HELQGTDTITZVDX-JGXREDOWSA-N 237577 US9394263, 1y E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237577&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060712 340131047 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414197 CN[C@@H](C)C(=O)N[C@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2O[C@@]11CCOC1 InChI=1S/C28H30BrN3O5/c1-17(30-2)26(33)31-25-27(34)32(22-6-4-5-7-24(22)37-28(25)12-13-36-16-28)15-21-20-10-9-19(29)14-18(20)8-11-23(21)35-3/h4-11,14,17,25,30H,12-13,15-16H2,1-3H3,(H,31,33)/t17-,25-,28+/m0/s1 HELQGTDTITZVDX-JGXREDOWSA-N 237578 US9394263, 1z E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237578 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237578&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060712 340131048 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414198 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2O[C@@]11CCOC1 InChI=1S/C28H30BrN3O5/c1-17(30-2)26(33)31-25-27(34)32(22-6-4-5-7-24(22)37-28(25)12-13-36-16-28)15-21-20-10-9-19(29)14-18(20)8-11-23(21)35-3/h4-11,14,17,25,30H,12-13,15-16H2,1-3H3,(H,31,33)/t17-,25+,28+/m0/s1 HELQGTDTITZVDX-VVTZZXDESA-N 237579 US9394263, 1a'::US9394263, 1b' E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 40150 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237579&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586138 340131049 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414199 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2O[C@@]11CCOC1 InChI=1S/C28H30BrN3O5/c1-17(30-2)26(33)31-25-27(34)32(22-6-4-5-7-24(22)37-28(25)12-13-36-16-28)15-21-20-10-9-19(29)14-18(20)8-11-23(21)35-3/h4-11,14,17,25,30H,12-13,15-16H2,1-3H3,(H,31,33)/t17-,25+,28+/m0/s1 HELQGTDTITZVDX-VVTZZXDESA-N 237579 US9394263, 1a'::US9394263, 1b' E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 36560 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237579 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237579&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586138 340131049 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414200 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2OC11CCOCC1 InChI=1S/C29H32BrN3O5/c1-18(31-2)27(34)32-26-28(35)33(17-21-19-7-6-8-22(30)20(19)11-12-24(21)36-3)23-9-4-5-10-25(23)38-29(26)13-15-37-16-14-29/h4-12,18,26,31H,13-17H2,1-3H3,(H,32,34)/t18-,26+/m0/s1 DHCRJEINPCNUPE-HFJWLAOPSA-N 237581 US9394263, 1c' E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 19110 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237581 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237581&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586141 340131050 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414201 CN[C@@H](C)C(=O)N[C@@H]1CC(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2O[C@H]1C InChI=1S/C27H31BrN2O3/c1-16(29-3)27(31)30-24-15-18(19-8-5-6-11-26(19)33-17(24)2)14-22-20-9-7-10-23(28)21(20)12-13-25(22)32-4/h5-13,16-18,24,29H,14-15H2,1-4H3,(H,30,31)/t16-,17-,18?,24+/m0/s1 MHMYSLLSJNMCBF-BQLKJTMJSA-N 237582 US9394263, 1d' E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 31920 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237582 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237582&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586170 340131051 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414202 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)c2ccccc2OC11CCOCC1 InChI=1S/C30H33N3O7/c1-18(31-2)27(34)32-26-28(35)33(23-6-4-5-7-25(23)40-30(26)12-14-39-15-13-30)17-22-21-10-8-20(29(36)37)16-19(21)9-11-24(22)38-3/h4-11,16,18,26,31H,12-15,17H2,1-3H3,(H,32,34)(H,36,37)/t18-,26+/m0/s1 PXBQMHIHZVFKSD-HFJWLAOPSA-N 50441338 CHEMBL2431751::US9394263, 2 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 22640 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441338 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441338&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 1RK 4KJV 71819720 175453655 CHEMBL2431751 ZINC96285024 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414203 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(ccc23)C(=O)NS(C)(=O)=O)c2ccccc2OC11CCOCC1 InChI=1S/C31H36N4O8S/c1-19(32-2)28(36)33-27-30(38)35(24-7-5-6-8-26(24)43-31(27)13-15-42-16-14-31)18-23-22-11-9-21(29(37)34-44(4,39)40)17-20(22)10-12-25(23)41-3/h5-12,17,19,27,32H,13-16,18H2,1-4H3,(H,33,36)(H,34,37)/t19-,27+/m0/s1 QCTZLGRXHFZSME-UZTOHYMASA-N 237583 US9394263, 3 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 30280 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237583 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237583&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73056587 340131052 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414204 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2SC1(C)C InChI=1S/C27H30BrN3O3S/c1-16(29-4)25(32)30-24-26(33)31(21-8-6-7-9-23(21)35-27(24,2)3)15-20-19-12-11-18(28)14-17(19)10-13-22(20)34-5/h6-14,16,24,29H,15H2,1-5H3,(H,30,32)/t16-,24+/m0/s1 XICQINNJRCACMA-UPCLLVRISA-N 237584 US9394263, 4 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237584 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237584&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060685 340131053 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414205 CN[C@@H](C)C(=O)NC1CSc2ccccc2N(Cc2ccccc2)C1=O InChI=1S/C20H23N3O2S/c1-14(21-2)19(24)22-16-13-26-18-11-7-6-10-17(18)23(20(16)25)12-15-8-4-3-5-9-15/h3-11,14,16,21H,12-13H2,1-2H3,(H,22,24)/t14-,16?/m0/s1 LHUKROPHQRPJTR-LBAUFKAWSA-N 237585 US9394263, 5 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54200 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237585 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237585&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73056591 340131054 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414206 CN[C@@H](C)C(=O)NC1CS(=O)(=O)c2ccccc2N(Cc2ccccc2)C1=O InChI=1S/C20H23N3O4S/c1-14(21-2)19(24)22-16-13-28(26,27)18-11-7-6-10-17(18)23(20(16)25)12-15-8-4-3-5-9-15/h3-11,14,16,21H,12-13H2,1-2H3,(H,22,24)/t14-,16?/m0/s1 LJSWVVHQVRBWEJ-LBAUFKAWSA-N 237586 US9394263, 6 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54200 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237586 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237586&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73056593 340131055 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414207 CN[C@@H](C)C(=O)NC1CS(=O)(=O)c2ccccc2N(CCCCc2ccccc2)C1=O InChI=1S/C23H29N3O4S/c1-17(24-2)22(27)25-19-16-31(29,30)21-14-7-6-13-20(21)26(23(19)28)15-9-8-12-18-10-4-3-5-11-18/h3-7,10-11,13-14,17,19,24H,8-9,12,15-16H2,1-2H3,(H,25,27)/t17-,19?/m0/s1 RVYZVHZENJHUGW-KKFHFHRHSA-N 237587 US9394263, 7 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54200 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237587&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73056595 340131056 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414208 CN[C@@H](C)C(=O)NC1CSc2ccccc2N(Cc2cccc(c2)-c2ccccc2)C1=O InChI=1S/C26H27N3O2S/c1-18(27-2)25(30)28-22-17-32-24-14-7-6-13-23(24)29(26(22)31)16-19-9-8-12-21(15-19)20-10-4-3-5-11-20/h3-15,18,22,27H,16-17H2,1-2H3,(H,28,30)/t18-,22?/m0/s1 FPZRNPBAEPRYMG-HXBUSHRASA-N 237588 US9394263, 8 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 14885 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237588 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237588&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73056899 340131057 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414209 CN[C@@H](C)C(=O)N[C@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccc(F)c(F)c2OC11CCOCC1 InChI=1S/C29H30BrF2N3O5/c1-16(33-2)27(36)34-26-28(37)35(15-20-19-6-5-18(30)14-17(19)4-9-23(20)38-3)22-8-7-21(31)24(32)25(22)40-29(26)10-12-39-13-11-29/h4-9,14,16,26,33H,10-13,15H2,1-3H3,(H,34,36)/t16-,26-/m0/s1 QTAWNOXGLQMROR-QMTYFTJSSA-N 237589 US9394263, 9 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237589 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237589&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73056901 340131058 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414210 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccc(F)c(F)c2OC11CCOCC1 InChI=1S/C29H30BrF2N3O5/c1-16(33-2)27(36)34-26-28(37)35(15-20-19-6-5-18(30)14-17(19)4-9-23(20)38-3)22-8-7-21(31)24(32)25(22)40-29(26)10-12-39-13-11-29/h4-9,14,16,26,33H,10-13,15H2,1-3H3,(H,34,36)/t16-,26+/m0/s1 QTAWNOXGLQMROR-YHAMSUFESA-N 237590 US9394263, 10 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 12520 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237590 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237590&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73056903 340131059 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414211 CN[C@@H](C)C(=O)N[C@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2cccc(F)c2OC11CCOCC1 InChI=1S/C29H31BrFN3O5/c1-17(32-2)27(35)33-26-28(36)34(16-21-20-9-8-19(30)15-18(20)7-10-24(21)37-3)23-6-4-5-22(31)25(23)39-29(26)11-13-38-14-12-29/h4-10,15,17,26,32H,11-14,16H2,1-3H3,(H,33,35)/t17-,26-/m0/s1 MXULZNXDARNAFL-QLXKLKPCSA-N 237591 US9394263, 11 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237591 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237591&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73056905 340131060 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414212 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2cccc(F)c2OC11CCOCC1 InChI=1S/C29H31BrFN3O5/c1-17(32-2)27(35)33-26-28(36)34(16-21-20-9-8-19(30)15-18(20)7-10-24(21)37-3)23-6-4-5-22(31)25(23)39-29(26)11-13-38-14-12-29/h4-10,15,17,26,32H,11-14,16H2,1-3H3,(H,33,35)/t17-,26+/m0/s1 MXULZNXDARNAFL-MRDQGFSESA-N 237592 US9394263, 12 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 11440 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237592 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237592&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73056907 340131061 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414213 CCC(NC)C(=O)N[C@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2cccc(F)c2OC11CCOCC1 InChI=1S/C30H33BrFN3O5/c1-4-23(33-2)28(36)34-27-29(37)35(17-21-20-10-9-19(31)16-18(20)8-11-25(21)38-3)24-7-5-6-22(32)26(24)40-30(27)12-14-39-15-13-30/h5-11,16,23,27,33H,4,12-15,17H2,1-3H3,(H,34,36)/t23?,27-/m0/s1 XGAFAULUGFKPHN-JVHFYALYSA-N 237593 US9394263, 13 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237593 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237593&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 129012532 340131062 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414214 CCC(NC)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2cccc(F)c2OC11CCOCC1 InChI=1S/C30H33BrFN3O5/c1-4-23(33-2)28(36)34-27-29(37)35(17-21-20-10-9-19(31)16-18(20)8-11-25(21)38-3)24-7-5-6-22(32)26(24)40-30(27)12-14-39-15-13-30/h5-11,16,23,27,33H,4,12-15,17H2,1-3H3,(H,34,36)/t23?,27-/m1/s1 XGAFAULUGFKPHN-IQHZPMLTSA-N 237594 US9394263, 14 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 22300 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237594 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237594&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 129012533 340131063 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414215 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccc(F)cc2OC11CCOCC1 InChI=1S/C29H31BrFN3O5/c1-17(32-2)27(35)33-26-28(36)34(16-22-21-7-5-19(30)14-18(21)4-9-24(22)37-3)23-8-6-20(31)15-25(23)39-29(26)10-12-38-13-11-29/h4-9,14-15,17,26,32H,10-13,16H2,1-3H3,(H,33,35)/t17-,26+/m0/s1 TWMNYKOLSDMFBC-MRDQGFSESA-N 237595 US9394263, 15 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 8455 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237595 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237595&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73057214 340131064 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414216 CCC(NC)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccc(F)cc2OC11CCOCC1 InChI=1S/C30H33BrFN3O5/c1-4-23(33-2)28(36)34-27-29(37)35(17-22-21-8-6-19(31)15-18(21)5-10-25(22)38-3)24-9-7-20(32)16-26(24)40-30(27)11-13-39-14-12-30/h5-10,15-16,23,27,33H,4,11-14,17H2,1-3H3,(H,34,36)/t23?,27-/m1/s1 WONACKBJIGSDAN-IQHZPMLTSA-N 237596 US9394263, 16 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >50000 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237596&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 129012534 340131065 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414217 COc1ccc2cc(Br)ccc2c1CN1c2ccccc2OC2(CCOCC2)[C@H](NC(=O)[C@H](C)NCCO)C1=O InChI=1S/C30H34BrN3O6/c1-19(32-13-14-35)28(36)33-27-29(37)34(18-23-22-9-8-21(31)17-20(22)7-10-25(23)38-2)24-5-3-4-6-26(24)40-30(27)11-15-39-16-12-30/h3-10,17,19,27,32,35H,11-16,18H2,1-2H3,(H,33,36)/t19-,27+/m0/s1 UFSIJETWBAPLMM-UZTOHYMASA-N 237597 US9394263, 17 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237597&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73057217 340131066 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414218 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cc[n+]([O-])c3ccccc23)c2ccccc2OC11CCOCC1 InChI=1S/C27H30N4O5/c1-18(28-2)25(32)29-24-26(33)30(17-19-11-14-31(34)21-8-4-3-7-20(19)21)22-9-5-6-10-23(22)36-27(24)12-15-35-16-13-27/h3-11,14,18,24,28H,12-13,15-17H2,1-2H3,(H,29,32)/t18-,24+/m0/s1 TUMVVNBILQFZBQ-MHECFPHRSA-N 237598 US9394263, 18 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 48620 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237598&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060595 340131067 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414219 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11CCOCC1 InChI=1S/C29H32BrN3O5/c1-18(31-2)27(34)32-26-28(35)33(17-22-21-10-9-20(30)16-19(21)8-11-24(22)36-3)23-6-4-5-7-25(23)38-29(26)12-14-37-15-13-29/h4-11,16,18,26,31H,12-15,17H2,1-3H3,(H,32,34)/t18-,26+/m0/s1 VUTQKGLPLFESJM-HFJWLAOPSA-N 50441341 CHEMBL2431766::US9394263, 1g E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 22900 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441341&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72712969 175453658 CHEMBL2431766 ZINC96285027 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414220 CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2OC11CCOCC1 InChI=1S/C29H32BrN3O5/c1-18(31-2)27(34)32-26-28(35)33(17-22-21-10-9-20(30)16-19(21)8-11-24(22)36-3)23-6-4-5-7-25(23)38-29(26)12-14-37-15-13-29/h4-11,16,18,26,31H,12-15,17H2,1-3H3,(H,32,34)/t18-,26+/m0/s1 VUTQKGLPLFESJM-HFJWLAOPSA-N 50441341 CHEMBL2431766::US9394263, 1g E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 26230 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441341 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441341&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72712969 175453658 CHEMBL2431766 ZINC96285027 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414221 COc1ccc2cc(Br)ccc2c1CN1c2ccccc2OC2(CCOCC2)[C@@H](NC(=O)[C@H](C)N)C1=O InChI=1S/C28H30BrN3O5/c1-17(30)26(33)31-25-27(34)32(16-21-20-9-8-19(29)15-18(20)7-10-23(21)35-2)22-5-3-4-6-24(22)37-28(25)11-13-36-14-12-28/h3-10,15,17,25H,11-14,16,30H2,1-2H3,(H,31,33)/t17-,25-/m0/s1 LPYCHTYQOLSQKX-GKVSMKOHSA-N 237599 US9394263, 21 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237599 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237599&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060665 340131068 C03803 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414222 COc1ccc2cc(Br)ccc2c1CN1c2ccccc2OC2(CCOCC2)[C@H](NC(=O)[C@H](C)N)C1=O InChI=1S/C28H30BrN3O5/c1-17(30)26(33)31-25-27(34)32(16-21-20-9-8-19(29)15-18(20)7-10-23(21)35-2)22-5-3-4-6-24(22)37-28(25)11-13-36-14-12-28/h3-10,15,17,25H,11-14,16,30H2,1-2H3,(H,31,33)/t17-,25+/m0/s1 LPYCHTYQOLSQKX-SSOJOUAXSA-N 237678 US9394263, 21 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 17700 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237678 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237678&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73057527 340131147 C03803 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414223 CN[C@@H](C)C(=O)N[C@H]1CSc2c(NC(=O)COCCOC)cccc2N(Cc2cccc3ccccc23)C1 InChI=1S/C29H36N4O4S/c1-20(30-2)29(35)31-23-17-33(16-22-10-6-9-21-8-4-5-11-24(21)22)26-13-7-12-25(28(26)38-19-23)32-27(34)18-37-15-14-36-3/h4-13,20,23,30H,14-19H2,1-3H3,(H,31,35)(H,32,34)/t20-,23+/m0/s1 RJXYFIGERUKJRI-NZQKXSOJSA-N 237600 US9394263, 22 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237600 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237600&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586094 340131069 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414224 CN[C@@H](C)C(=O)N[C@H]1CSc2c(NC(=O)CC(C)C)cccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C29H34N4O3S/c1-18(2)15-26(34)31-23-13-8-14-25-27(23)37-17-24(32-28(35)19(3)30-4)29(36)33(25)16-21-11-7-10-20-9-5-6-12-22(20)21/h5-14,18-19,24,30H,15-17H2,1-4H3,(H,31,34)(H,32,35)/t19-,24-/m0/s1 INFCODNLDYOOTC-CYFREDJKSA-N 237601 US9394263, 22a E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237601 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237601&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060635 340131070 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414225 CN[C@@H](C)C(=O)N[C@H]1CSc2c(NC(=O)C3CCNCC3)cccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C30H35N5O3S/c1-19(31-2)28(36)34-25-18-39-27-24(33-29(37)21-13-15-32-16-14-21)11-6-12-26(27)35(30(25)38)17-22-9-5-8-20-7-3-4-10-23(20)22/h3-12,19,21,25,31-32H,13-18H2,1-2H3,(H,33,37)(H,34,36)/t19-,25-/m0/s1 GWNWLIHKMHHSTR-DFBJGRDBSA-N 237602 US9394263, 22b E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 14190 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237602 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237602&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060634 340131071 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414226 CN[C@@H](C)C(=O)N[C@H]1CSc2c(NC(=O)C3CCCNC3)cccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C30H35N5O3S/c1-19(31-2)28(36)34-25-18-39-27-24(33-29(37)21-11-7-15-32-16-21)13-6-14-26(27)35(30(25)38)17-22-10-5-9-20-8-3-4-12-23(20)22/h3-6,8-10,12-14,19,21,25,31-32H,7,11,15-18H2,1-2H3,(H,33,37)(H,34,36)/t19-,21?,25-/m0/s1 LFBPONKJVQNIDC-FRYNGCKNSA-N 237603 US9394263, 22c E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 37140 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237603 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237603&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586229 340131072 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414227 CN[C@@H](C)C(=O)N[C@H]1CSc2c(NC(=O)C3CCN(C)CC3)cccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C31H37N5O3S/c1-20(32-2)29(37)34-26-19-40-28-25(33-30(38)22-14-16-35(3)17-15-22)12-7-13-27(28)36(31(26)39)18-23-10-6-9-21-8-4-5-11-24(21)23/h4-13,20,22,26,32H,14-19H2,1-3H3,(H,33,38)(H,34,37)/t20-,26-/m0/s1 XMFTWQXIQKRHDV-FNZWTVRRSA-N 237604 US9394263, 22d E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237604 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237604&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060632 340131073 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414228 CN[C@@H](C)C(=O)N[C@H]1CSc2c(NC(=O)c3ccncc3)cccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C30H29N5O3S/c1-19(31-2)28(36)34-25-18-39-27-24(33-29(37)21-13-15-32-16-14-21)11-6-12-26(27)35(30(25)38)17-22-9-5-8-20-7-3-4-10-23(20)22/h3-16,19,25,31H,17-18H2,1-2H3,(H,33,37)(H,34,36)/t19-,25-/m0/s1 XQBKGHAWAUFXBN-DFBJGRDBSA-N 237605 US9394263, 22e E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237605 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237605&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060638 340131074 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414229 CN[C@@H](C)C(=O)N[C@H]1CSc2c(NC(=O)c3ccc(OC)cc3)cccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C32H32N4O4S/c1-20(33-2)30(37)35-27-19-41-29-26(34-31(38)22-14-16-24(40-3)17-15-22)12-7-13-28(29)36(32(27)39)18-23-10-6-9-21-8-4-5-11-25(21)23/h4-17,20,27,33H,18-19H2,1-3H3,(H,34,38)(H,35,37)/t20-,27-/m0/s1 CHZOIGFQCCEBLR-DCFHFQCYSA-N 237606 US9394263, 22f E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237606 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237606&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060651 340131075 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414230 CN[C@@H](C)C(=O)N[C@H]1CSc2c(NS(=O)(=O)c3ccccc3)cccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C30H30N4O4S2/c1-20(31-2)29(35)32-26-19-39-28-25(33-40(37,38)23-13-4-3-5-14-23)16-9-17-27(28)34(30(26)36)18-22-12-8-11-21-10-6-7-15-24(21)22/h3-17,20,26,31,33H,18-19H2,1-2H3,(H,32,35)/t20-,26-/m0/s1 OARFMFFNRPGNNA-FNZWTVRRSA-N 237607 US9394263, 22g E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 17565 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237607 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237607&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060654 340131076 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414231 CN[C@@H](C)C(=O)N[C@H]1CSc2c(NC(=O)c3ccc(cc3)C(C)=O)cccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C33H32N4O4S/c1-20(34-3)31(39)36-28-19-42-30-27(35-32(40)24-16-14-22(15-17-24)21(2)38)12-7-13-29(30)37(33(28)41)18-25-10-6-9-23-8-4-5-11-26(23)25/h4-17,20,28,34H,18-19H2,1-3H3,(H,35,40)(H,36,39)/t20-,28-/m0/s1 JYKLITXYHKPYDS-MMTVBGGISA-N 237608 US9394263, 22h E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237608 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237608&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060653 340131077 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414232 CN[C@@H](C)C(=O)N[C@H]1CSc2c(NC(=O)C3CCN(CC3)C(C)=O)cccc2N(Cc2cccc3ccccc23)C1 InChI=1S/C32H39N5O3S/c1-21(33-3)31(39)34-26-19-37(18-25-10-6-9-23-8-4-5-11-27(23)25)29-13-7-12-28(30(29)41-20-26)35-32(40)24-14-16-36(17-15-24)22(2)38/h4-13,21,24,26,33H,14-20H2,1-3H3,(H,34,39)(H,35,40)/t21-,26+/m0/s1 IVIIDYJRYVHAPR-HFZDXXHNSA-N 237609 US9394263, 23 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237609&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586095 340131078 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414233 CN[C@@H](C)C(=O)N[C@H]1CSc2c(NC(=O)CCCC(C)=O)cccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C30H34N4O4S/c1-19(35)9-6-16-27(36)32-24-14-8-15-26-28(24)39-18-25(33-29(37)20(2)31-3)30(38)34(26)17-22-12-7-11-21-10-4-5-13-23(21)22/h4-5,7-8,10-15,20,25,31H,6,9,16-18H2,1-3H3,(H,32,36)(H,33,37)/t20-,25-/m0/s1 HVPMNTAMRQCXLQ-CPJSRVTESA-N 237610 US9394263, 24 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237610&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73057825 340131079 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414234 CN[C@@H](C)C(=O)N[C@H]1CSc2c(NC(=O)c3cc(OC)c(OC)c(OC)c3)cccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C34H36N4O6S/c1-20(35-2)32(39)37-26-19-45-31-25(36-33(40)23-16-28(42-3)30(44-5)29(17-23)43-4)14-9-15-27(31)38(34(26)41)18-22-12-8-11-21-10-6-7-13-24(21)22/h6-17,20,26,35H,18-19H2,1-5H3,(H,36,40)(H,37,39)/t20-,26-/m0/s1 WBCJVQPIOWOMDT-FNZWTVRRSA-N 237611 US9394263, 25 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237611&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73057823 340131080 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414235 CN[C@@H](C)C(=O)N[C@H]1CSc2c(NC(=O)CCCCC(C)=O)cccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C31H36N4O4S/c1-20(36)10-4-7-17-28(37)33-25-15-9-16-27-29(25)40-19-26(34-30(38)21(2)32-3)31(39)35(27)18-23-13-8-12-22-11-5-6-14-24(22)23/h5-6,8-9,11-16,21,26,32H,4,7,10,17-19H2,1-3H3,(H,33,37)(H,34,38)/t21-,26-/m0/s1 CAUBDIRLEDFWIT-LVXARBLLSA-N 237612 US9394263, 26 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237612&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73058099 340131081 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414236 CN[C@@H](C)C(=O)N[C@H]1CSc2c(N)cccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C24H26N4O2S/c1-15(26-2)23(29)27-20-14-31-22-19(25)11-6-12-21(22)28(24(20)30)13-17-9-5-8-16-7-3-4-10-18(16)17/h3-12,15,20,26H,13-14,25H2,1-2H3,(H,27,29)/t15-,20-/m0/s1 OULGXBSFUJVITE-YWZLYKJASA-N 237613 US9394263, 27 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237613 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237613&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73058101 340131082 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414237 CN[C@@H](C)C(=O)N[C@H]1CSc2c(NC(=O)c3ccccc3)cccc2N(Cc2cccc3ccccc23)C1=O InChI=1S/C31H30N4O3S/c1-20(32-2)29(36)34-26-19-39-28-25(33-30(37)22-11-4-3-5-12-22)16-9-17-27(28)35(31(26)38)18-23-14-8-13-21-10-6-7-15-24(21)23/h3-17,20,26,32H,18-19H2,1-2H3,(H,33,37)(H,34,36)/t20-,26-/m0/s1 QRUYAIQIKGZQJC-FNZWTVRRSA-N 237614 US9394263, 28 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237614 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237614&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73058103 340131083 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414238 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2ccc(Br)c3ccccc23)C1=O InChI=1S/C24H24BrN3O3/c1-15(26-2)23(29)27-20-14-31-22-10-6-5-9-21(22)28(24(20)30)13-16-11-12-19(25)18-8-4-3-7-17(16)18/h3-12,15,20,26H,13-14H2,1-2H3,(H,27,29)/t15-,20-/m0/s1 IHWAGHVWGIUTKB-YWZLYKJASA-N 237615 US9394263, 29a E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237615 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237615&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060659 340131084 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414239 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O InChI=1S/C25H27N3O4/c1-16(26-2)24(29)27-20-15-32-23-11-7-6-10-21(23)28(25(20)30)14-19-18-9-5-4-8-17(18)12-13-22(19)31-3/h4-13,16,20,26H,14-15H2,1-3H3,(H,27,29)/t16-,20-/m0/s1 AQHZJXJHQYKWPK-JXFKEZNVSA-N 237616 US9394263, 29b E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237616 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237616&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060661 340131085 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414240 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2ccccc2OC)C1=O InChI=1S/C21H25N3O4/c1-14(22-2)20(25)23-16-13-28-19-11-7-5-9-17(19)24(21(16)26)12-15-8-4-6-10-18(15)27-3/h4-11,14,16,22H,12-13H2,1-3H3,(H,23,25)/t14-,16-/m0/s1 PNPPXVPIZWKSJN-HOCLYGCPSA-N 237617 US9394263, 29c E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237617 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237617&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060664 340131086 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414241 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C2CC2)C1=O InChI=1S/C28H31N3O4/c1-17(29-2)27(32)30-23-16-35-26-7-5-4-6-24(26)31(28(23)33)15-22-21-12-10-19(18-8-9-18)14-20(21)11-13-25(22)34-3/h4-7,10-14,17-18,23,29H,8-9,15-16H2,1-3H3,(H,30,32)/t17-,23-/m0/s1 PMTMIPLQJOJORB-SBUREZEXSA-N 237618 US9394263, 30 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 43190 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237618&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73058105 340131087 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414242 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)OC)C1=O InChI=1S/C27H29N3O6/c1-16(28-2)25(31)29-21-15-36-24-8-6-5-7-22(24)30(26(21)32)14-20-19-11-9-18(27(33)35-4)13-17(19)10-12-23(20)34-3/h5-13,16,21,28H,14-15H2,1-4H3,(H,29,31)/t16-,21-/m0/s1 XVRXCRGYPZBSBD-KKSFZXQISA-N 237619 US9394263, 31 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237619&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73058107 340131088 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414243 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(O)=O)C1=O InChI=1S/C26H27N3O6/c1-15(27-2)24(30)28-20-14-35-23-7-5-4-6-21(23)29(25(20)31)13-19-18-10-8-17(26(32)33)12-16(18)9-11-22(19)34-3/h4-12,15,20,27H,13-14H2,1-3H3,(H,28,30)(H,32,33)/t15-,20-/m0/s1 FXWNXUAVASQHNP-YWZLYKJASA-N 237620 US9394263, 32 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237620&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73053728 340131089 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414244 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)N(C)CCO)C1=O InChI=1S/C29H34N4O6/c1-18(30-2)27(35)31-23-17-39-26-8-6-5-7-24(26)33(29(23)37)16-22-21-11-9-20(28(36)32(3)13-14-34)15-19(21)10-12-25(22)38-4/h5-12,15,18,23,30,34H,13-14,16-17H2,1-4H3,(H,31,35)/t18-,23-/m0/s1 MFDWMOLYSMLKHS-MBSDFSHPSA-N 237621 US9394263, 33 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237621&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586168 340131090 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414245 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)NCCC(O)=O)C1=O InChI=1S/C29H32N4O7/c1-17(30-2)27(36)32-22-16-40-25-7-5-4-6-23(25)33(29(22)38)15-21-20-10-8-19(28(37)31-13-12-26(34)35)14-18(20)9-11-24(21)39-3/h4-11,14,17,22,30H,12-13,15-16H2,1-3H3,(H,31,37)(H,32,36)(H,34,35)/t17-,22-/m0/s1 XLZZZYCPXCAWJQ-JTSKRJEESA-N 237622 US9394263, 34 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237622&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118586143 340131091 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414246 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)N(C)C)C1=O InChI=1S/C28H32N4O5/c1-17(29-2)26(33)30-22-16-37-25-9-7-6-8-23(25)32(28(22)35)15-21-20-12-10-19(27(34)31(3)4)14-18(20)11-13-24(21)36-5/h6-14,17,22,29H,15-16H2,1-5H3,(H,30,33)/t17-,22-/m0/s1 XIAPFVQCGJJDLL-JTSKRJEESA-N 237623 US9394263, 35 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237623&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060696 340131092 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414247 CN[C@@H](C)C(=O)N[C@H]1COc2cc(C)ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C26H28BrN3O4/c1-15-5-9-22-24(11-15)34-14-21(29-25(31)16(2)28-3)26(32)30(22)13-20-19-8-7-18(27)12-17(19)6-10-23(20)33-4/h5-12,16,21,28H,13-14H2,1-4H3,(H,29,31)/t16-,21-/m0/s1 SIOLYMCSTIOYGU-KKSFZXQISA-N 237624 US9394263, 36 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 41800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237624&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060626 340131093 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414248 COc1ccc2cc(Br)ccc2c1CN1c2ccc(C)cc2OC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C1=O InChI=1S/C26H28BrN3O5/c1-14-4-8-21-23(10-14)35-13-20(29-25(32)24(28)15(2)31)26(33)30(21)12-19-18-7-6-17(27)11-16(18)5-9-22(19)34-3/h4-11,15,20,24,31H,12-13,28H2,1-3H3,(H,29,32)/t15-,20+,24+/m1/s1 GJHQSQQUFJDDTR-VNOPPTIDSA-N 237625 US9394263, 37 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237625&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060723 340131094 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414249 COc1ccc2cc(Br)ccc2c1CN1c2ccc(C)cc2OC[C@H](NC(=O)[C@@H](N)[C@H](C)O)C1=O InChI=1S/C26H28BrN3O5/c1-14-4-8-21-23(10-14)35-13-20(29-25(32)24(28)15(2)31)26(33)30(21)12-19-18-7-6-17(27)11-16(18)5-9-22(19)34-3/h4-11,15,20,24,31H,12-13,28H2,1-3H3,(H,29,32)/t15-,20-,24-/m0/s1 GJHQSQQUFJDDTR-CCQPRUGESA-N 237626 US9394263, 38 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237626&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060699 340131095 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414250 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)Oc2cc(C)ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C27H30BrN3O4/c1-15-6-10-22-24(12-15)35-17(3)25(30-26(32)16(2)29-4)27(33)31(22)14-21-20-9-8-19(28)13-18(20)7-11-23(21)34-5/h6-13,16-17,25,29H,14H2,1-5H3,(H,30,32)/t16-,17-,25-/m0/s1 XYXKAUGBKYDYDB-TZPNTHKFSA-N 237627 US9394263, 39 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237627&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73054024 340131096 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414251 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)Oc2cc(C)ccc2N(Cc2c(OC)ccc3cc(ccc23)C(=O)OC)C1=O InChI=1S/C29H33N3O6/c1-16-7-11-23-25(13-16)38-18(3)26(31-27(33)17(2)30-4)28(34)32(23)15-22-21-10-8-20(29(35)37-6)14-19(21)9-12-24(22)36-5/h7-14,17-18,26,30H,15H2,1-6H3,(H,31,33)/t17-,18-,26-/m0/s1 GLMYCUJMYACUKQ-XWXLMPLOSA-N 237628 US9394263, 40 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 37650 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237628&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73054292 340131097 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414252 CN[C@@H]([C@H](C)O)C(=O)N[C@H]1[C@H](C)Oc2cc(C)ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C28H32BrN3O5/c1-15-6-10-22-24(12-15)37-17(3)26(31-27(34)25(30-4)16(2)33)28(35)32(22)14-21-20-9-8-19(29)13-18(20)7-11-23(21)36-5/h6-13,16-17,25-26,30,33H,14H2,1-5H3,(H,31,34)/t16-,17-,25-,26-/m0/s1 LKIFTWKEGXUQGG-FRSFCCSCSA-N 237629 US9394263, 41 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 27170 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237629&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90060725 340131098 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414253 CN[C@@H](C)C(=O)N[C@H]1COc2ccc(cc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O)C(F)(F)F InChI=1S/C26H25BrF3N3O4/c1-14(31-2)24(34)32-20-13-37-23-9-5-16(26(28,29)30)11-21(23)33(25(20)35)12-19-18-7-6-17(27)10-15(18)4-8-22(19)36-3/h4-11,14,20,31H,12-13H2,1-3H3,(H,32,34)/t14-,20-/m0/s1 JQVJYOMQBVYRMG-XOBRGWDASA-N 237630 US9394263, 42 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237630&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73054296 340131099 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414254 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)Oc2ccc(cc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O)C(F)(F)F InChI=1S/C27H27BrF3N3O4/c1-14(32-3)25(35)33-24-15(2)38-23-10-6-17(27(29,30)31)12-21(23)34(26(24)36)13-20-19-8-7-18(28)11-16(19)5-9-22(20)37-4/h5-12,14-15,24,32H,13H2,1-4H3,(H,33,35)/t14-,15-,24-/m0/s1 OALZJUACHCHIBD-ISQRANHSSA-N 237631 US9394263, 43 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237631&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73054298 340131100 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414255 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C25H27N3O3/c1-16-12-13-18-8-4-5-9-19(18)20(16)14-28-22-10-6-7-11-23(22)31-15-21(25(28)30)27-24(29)17(2)26-3/h4-13,17,21,26H,14-15H2,1-3H3,(H,27,29)/t17-,21-/m0/s1 PMTGJZLNFRQBBN-UWJYYQICSA-N 237632 US9394263, 44 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237632&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73054588 340131101 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414256 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2ccccc2Cl)C1=O InChI=1S/C20H22ClN3O3/c1-13(22-2)19(25)23-16-12-27-18-10-6-5-9-17(18)24(20(16)26)11-14-7-3-4-8-15(14)21/h3-10,13,16,22H,11-12H2,1-2H3,(H,23,25)/t13-,16-/m0/s1 GIKBDINPWKIYJA-BBRMVZONSA-N 237633 US9394263, 45 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237633&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73054589 340131102 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414257 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc(Cl)c2)C1=O InChI=1S/C20H22ClN3O3/c1-13(22-2)19(25)23-16-12-27-18-9-4-3-8-17(18)24(20(16)26)11-14-6-5-7-15(21)10-14/h3-10,13,16,22H,11-12H2,1-2H3,(H,23,25)/t13-,16-/m0/s1 PQRLHLPVCHREAB-BBRMVZONSA-N 237634 US9394263, 46 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237634&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73054590 340131103 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414258 CN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2ccc(Cl)cc2)C1=O InChI=1S/C20H22ClN3O3/c1-13(22-2)19(25)23-16-12-27-18-6-4-3-5-17(18)24(20(16)26)11-14-7-9-15(21)10-8-14/h3-10,13,16,22H,11-12H2,1-2H3,(H,23,25)/t13-,16-/m0/s1 NZGXRNHLIKDWHR-BBRMVZONSA-N 237635 US9394263, 47 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237635 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237635&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73054591 340131104 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414259 CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(O)=O)N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C26H26BrN3O6/c1-14(28-2)24(31)29-20-13-36-23-18(26(33)34)5-4-6-21(23)30(25(20)32)12-19-17-9-8-16(27)11-15(17)7-10-22(19)35-3/h4-11,14,20,28H,12-13H2,1-3H3,(H,29,31)(H,33,34)/t14-,20-/m0/s1 RLXORJZNFQJZRM-XOBRGWDASA-N 237636 US9394263, 48 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237636 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237636&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73054593 340131105 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 414260 CN[C@@H](C)C(=O)N[C@H]1COc2c(cccc2C(O)=O)N(Cc2c(OC)ccc3ccccc23)C1=O InChI=1S/C26H27N3O6/c1-15(27-2)24(30)28-20-14-35-23-18(26(32)33)9-6-10-21(23)29(25(20)31)13-19-17-8-5-4-7-16(17)11-12-22(19)34-3/h4-12,15,20,27H,13-14H2,1-3H3,(H,28,30)(H,32,33)/t15-,20-/m0/s1 USEHOLSOYKSOSD-YWZLYKJASA-N 237637 US9394263, 49 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 25.00 C US Patent 10.7270/Q2X92968 aid1803159 US9394263 Donnell, AF; Han, X; Kester, RF; Kong, N; Le, K; Lou, Y; Michoud, C; Moliterni, JA; Remiszewski, S; Rupert, KC; Yun, W F. Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=237637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=237637&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73057219 340131106 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420379 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C58H56Br2N8O8/c1-33(61-3)53(69)63-45-31-67(49-13-9-7-11-47(49)65(57(45)73)29-43-41-23-21-39(59)27-37(41)19-25-51(43)75-5)55(71)35-15-17-36(18-16-35)56(72)68-32-46(64-54(70)34(2)62-4)58(74)66(48-12-8-10-14-50(48)68)30-44-42-24-22-40(60)28-38(42)20-26-52(44)76-6/h7-28,33-34,45-46,61-62H,29-32H2,1-6H3,(H,63,69)(H,64,70)/t33-,34-,45-,46-/m0/s1 PBGWEJJBQUBSJN-MLLHAFNLSA-N 240879 US9409888, 28 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1906.5 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240879&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76283048 341093201 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420380 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)N1C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc12 InChI=1S/C60H70BrN9O8/c1-35(62-3)54(71)66-48-34-70(50-21-12-11-20-49(50)69(59(48)76)33-46-44-28-27-42(61)30-41(44)26-29-52(46)78-5)58(75)40-24-22-39(23-25-40)56(73)64-43-31-51(57(74)65-47-19-13-17-37-14-9-10-18-45(37)47)68(32-43)60(77)53(38-15-7-6-8-16-38)67-55(72)36(2)63-4/h9-12,14,18,20-30,35-36,38,43,47-48,51,53,62-63H,6-8,13,15-17,19,31-34H2,1-5H3,(H,64,73)(H,65,74)(H,66,71)(H,67,72)/t35-,36-,43-,47+,48-,51-,53-/m0/s1 OVCDDAXIBKWFRB-SFDZCEMOSA-N 240880 US9409888, 2 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 7.33 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240880&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76282560 341093202 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420381 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@@H](C[C@@H]1C(=O)NCc1ccccc1)NC(=O)c1ccc(cc1)C(=O)N1C[C@H](NC(=O)[C@@H](C)NC)C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc12 InChI=1S/C57H66BrN9O8/c1-34(59-3)51(68)63-45-33-67(47-19-13-12-18-46(47)66(56(45)73)32-44-43-26-25-41(58)28-40(43)24-27-49(44)75-5)55(72)39-22-20-38(21-23-39)53(70)62-42-29-48(54(71)61-30-36-14-8-6-9-15-36)65(31-42)57(74)50(37-16-10-7-11-17-37)64-52(69)35(2)60-4/h6,8-9,12-15,18-28,34-35,37,42,45,48,50,59-60H,7,10-11,16-17,29-33H2,1-5H3,(H,61,71)(H,62,70)(H,63,68)(H,64,69)/t34-,35+,42-,45+,48-,50+/m1/s1 YDWVAMSAICGKJN-BOPKTTDVSA-N 240881 US9409888, 1 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 27.2 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240881 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240881&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 129625737 341093203 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420382 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@H]1CCCc2ccccc12)NC(=O)c1ccc(cc1)C(=O)N1C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc12 InChI=1S/C60H70BrN9O8/c1-35(62-3)54(71)66-48-34-70(50-21-12-11-20-49(50)69(59(48)76)33-46-44-28-27-42(61)30-41(44)26-29-52(46)78-5)58(75)40-24-22-39(23-25-40)56(73)64-43-31-51(57(74)65-47-19-13-17-37-14-9-10-18-45(37)47)68(32-43)60(77)53(38-15-7-6-8-16-38)67-55(72)36(2)63-4/h9-12,14,18,20-30,35-36,38,43,47-48,51,53,62-63H,6-8,13,15-17,19,31-34H2,1-5H3,(H,64,73)(H,65,74)(H,66,71)(H,67,72)/t35-,36-,43-,47-,48-,51-,53-/m0/s1 OVCDDAXIBKWFRB-QNQROPCWSA-N 240882 US9409888, 3 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 63.533 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240882 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240882&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76282561 341093204 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420383 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(C)ccc4ccccc34)c3ccccc23)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C58H58N8O6/c1-35-23-25-39-15-7-9-17-43(39)45(35)31-63-49-19-11-13-21-51(49)65(33-47(57(63)71)61-53(67)37(3)59-5)55(69)41-27-29-42(30-28-41)56(70)66-34-48(62-54(68)38(4)60-6)58(72)64(50-20-12-14-22-52(50)66)32-46-36(2)24-26-40-16-8-10-18-44(40)46/h7-30,37-38,47-48,59-60H,31-34H2,1-6H3,(H,61,67)(H,62,68)/t37-,38-,47-,48-/m0/s1 AAUBAAFAPIUNRC-IFXHEYSUSA-N 240883 US9409888, 23 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 10280 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240883 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240883&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76280748 341093205 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420384 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4c(Br)cccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C58H56Br2N8O8/c1-33(61-3)53(69)63-45-31-67(49-19-9-7-17-47(49)65(57(45)73)29-41-37-13-11-15-43(59)39(37)25-27-51(41)75-5)55(71)35-21-23-36(24-22-35)56(72)68-32-46(64-54(70)34(2)62-4)58(74)66(48-18-8-10-20-50(48)68)30-42-38-14-12-16-44(60)40(38)26-28-52(42)76-6/h7-28,33-34,45-46,61-62H,29-32H2,1-6H3,(H,63,69)(H,64,70)/t33-,34-,45-,46-/m0/s1 YUIVBVLBUVLINM-MLLHAFNLSA-N 240884 US9409888, 22 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 34660 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240884 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240884&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76281540 341093206 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420385 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc3cc(ccc3c2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C62H58Br2N8O8/c1-35(65-3)57(73)67-49-33-71(53-13-9-7-11-51(53)69(61(49)77)31-47-45-23-21-43(63)29-39(45)19-25-55(47)79-5)59(75)41-17-15-38-28-42(18-16-37(38)27-41)60(76)72-34-50(68-58(74)36(2)66-4)62(78)70(52-12-8-10-14-54(52)72)32-48-46-24-22-44(64)30-40(46)20-26-56(48)80-6/h7-30,35-36,49-50,65-66H,31-34H2,1-6H3,(H,67,73)(H,68,74)/t35-,36-,49-,50-/m0/s1 JPGPASNCUPFQRJ-HLGNEWOLSA-N 240885 US9409888, 9 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1150 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240885 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240885&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76283293 341093207 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420386 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)NC1CCCCC1)NC(=O)c1ccc(cc1)C(=O)N1C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc12 InChI=1S/C56H70BrN9O8/c1-33(58-3)50(67)62-44-32-66(46-19-13-12-18-45(46)65(55(44)72)31-43-42-26-25-39(57)28-38(42)24-27-48(43)74-5)54(71)37-22-20-36(21-23-37)52(69)61-41-29-47(53(70)60-40-16-10-7-11-17-40)64(30-41)56(73)49(35-14-8-6-9-15-35)63-51(68)34(2)59-4/h12-13,18-28,33-35,40-41,44,47,49,58-59H,6-11,14-17,29-32H2,1-5H3,(H,60,70)(H,61,69)(H,62,67)(H,63,68)/t33-,34-,41-,44-,47-,49-/m0/s1 DUMCUFNHQURVRM-MUUCLWMVSA-N 240886 US9409888, 4 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 471 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240886 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240886&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76282802 341093208 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420387 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1C[C@H](C[C@H]1C(=O)NC(C)C)NC(=O)c1ccc(cc1)C(=O)N1C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc12 InChI=1S/C53H66BrN9O8/c1-30(2)57-50(67)44-26-38(27-61(44)53(70)46(33-13-9-8-10-14-33)60-48(65)32(4)56-6)58-49(66)34-17-19-35(20-18-34)51(68)63-29-41(59-47(64)31(3)55-5)52(69)62(42-15-11-12-16-43(42)63)28-40-39-23-22-37(54)25-36(39)21-24-45(40)71-7/h11-12,15-25,30-33,38,41,44,46,55-56H,8-10,13-14,26-29H2,1-7H3,(H,57,67)(H,58,66)(H,59,64)(H,60,65)/t31-,32-,38-,41-,44-,46-/m0/s1 ZVTMZUQOSGTDGQ-OSHGBQKNSA-N 240887 US9409888, 5 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 495 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240887 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240887&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76282803 341093209 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420388 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C54H56Br2N8O8/c1-31(57-3)51(67)59-41-29-61(43-11-7-9-13-45(43)63(53(41)69)27-39-37-19-17-35(55)25-33(37)15-21-47(39)71-5)49(65)23-24-50(66)62-30-42(60-52(68)32(2)58-4)54(70)64(46-14-10-8-12-44(46)62)28-40-38-20-18-36(56)26-34(38)16-22-48(40)72-6/h7-22,25-26,31-32,41-42,57-58H,23-24,27-30H2,1-6H3,(H,59,67)(H,60,68)/t31-,32-,41-,42-/m0/s1 ALIUHKXJZCMAAV-YDSDICBNSA-N 240888 US9409888, 15 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 8107 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240888 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240888&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76284044 341093210 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420389 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C56H60Br2N8O8/c1-33(59-3)53(69)61-43-31-63(45-13-7-9-15-47(45)65(55(43)71)29-41-39-23-21-37(57)27-35(39)19-25-49(41)73-5)51(67)17-11-12-18-52(68)64-32-44(62-54(70)34(2)60-4)56(72)66(48-16-10-8-14-46(48)64)30-42-40-24-22-38(58)28-36(40)20-26-50(42)74-6/h7-10,13-16,19-28,33-34,43-44,59-60H,11-12,17-18,29-32H2,1-6H3,(H,61,69)(H,62,70)/t33-,34-,43-,44-/m0/s1 XEUPNOJSSNQTHX-DYGKRUFJSA-N 240889 US9409888, 16 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 5959 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240889 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240889&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76284045 341093211 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420390 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3nn(-c4ccccc4C#N)c4ccccc34)c3ccccc23)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O InChI=1S/C64H56N14O6/c1-39(67-3)59(79)69-49-37-73(55-25-13-15-27-57(55)75(63(49)83)35-47-45-19-7-11-23-53(45)77(71-47)51-21-9-5-17-43(51)33-65)61(81)41-29-31-42(32-30-41)62(82)74-38-50(70-60(80)40(2)68-4)64(84)76(58-28-16-14-26-56(58)74)36-48-46-20-8-12-24-54(46)78(72-48)52-22-10-6-18-44(52)34-66/h5-32,39-40,49-50,67-68H,35-38H2,1-4H3,(H,69,79)(H,70,80)/t39-,40-,49-,50-/m0/s1 SQXNCAKESJTANY-UCUXQBEDSA-N 240890 US9409888, 24 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 17030 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240890 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240890&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76281014 341093212 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420391 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2cccc(CC(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(OC)ccc5cc(Br)ccc45)c4ccccc34)c2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C60H60Br2N8O8/c1-35(63-3)57(73)65-47-33-67(49-14-7-9-16-51(49)69(59(47)75)31-45-43-22-20-41(61)29-39(43)18-24-53(45)77-5)55(71)27-37-12-11-13-38(26-37)28-56(72)68-34-48(66-58(74)36(2)64-4)60(76)70(52-17-10-8-15-50(52)68)32-46-44-23-21-42(62)30-40(44)19-25-54(46)78-6/h7-26,29-30,35-36,47-48,63-64H,27-28,31-34H2,1-6H3,(H,65,73)(H,66,74)/t35-,36-,47-,48-/m0/s1 IHWSERQBSJKYST-MVPWKQBXSA-N 240891 US9409888, 21 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 738 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240891&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76280747 341093213 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420392 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cnc(cn2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C56H54Br2N10O8/c1-31(59-3)51(69)63-43-29-67(47-13-9-7-11-45(47)65(55(43)73)27-39-37-19-17-35(57)23-33(37)15-21-49(39)75-5)53(71)41-25-62-42(26-61-41)54(72)68-30-44(64-52(70)32(2)60-4)56(74)66(46-12-8-10-14-48(46)68)28-40-38-20-18-36(58)24-34(38)16-22-50(40)76-6/h7-26,31-32,43-44,59-60H,27-30H2,1-6H3,(H,63,69)(H,64,70)/t31-,32-,43-,44-/m0/s1 GXFYCRZLAIFTMD-XAGGQHATSA-N 240892 US9409888, 19 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 572 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240892 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240892&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76284571 341093214 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420393 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(C)ccc4ccccc34)c3ccc(cc23)C#N)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N InChI=1S/C60H56N10O6/c1-35-15-19-41-11-7-9-13-45(41)47(35)31-67-51-25-17-39(29-61)27-53(51)69(33-49(59(67)75)65-55(71)37(3)63-5)57(73)43-21-23-44(24-22-43)58(74)70-34-50(66-56(72)38(4)64-6)60(76)68(52-26-18-40(30-62)28-54(52)70)32-48-36(2)16-20-42-12-8-10-14-46(42)48/h7-28,37-38,49-50,63-64H,31-34H2,1-6H3,(H,65,71)(H,66,72)/t37-,38-,49-,50-/m0/s1 ABEWHESMNXBBBX-FJWUGETPSA-N 240893 US9409888, 26 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 3178 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240893 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240893&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90220954 341093215 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420394 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C53H54Br2N8O8/c1-30(56-3)50(66)58-40-28-60(42-11-7-9-13-44(42)62(52(40)68)26-38-36-19-17-34(54)23-32(36)15-21-46(38)70-5)48(64)25-49(65)61-29-41(59-51(67)31(2)57-4)53(69)63(45-14-10-8-12-43(45)61)27-39-37-20-18-35(55)24-33(37)16-22-47(39)71-6/h7-24,30-31,40-41,56-57H,25-29H2,1-6H3,(H,58,66)(H,59,67)/t30-,31-,40-,41-/m0/s1 USJKJTRCBBJPHQ-GCRRAVDUSA-N 240894 US9409888, 14 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 5134 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240894&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76284043 341093216 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420395 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCCC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C57H62Br2N8O8/c1-34(60-3)54(70)62-44-32-64(46-14-10-12-16-48(46)66(56(44)72)30-42-40-24-22-38(58)28-36(40)20-26-50(42)74-5)52(68)18-8-7-9-19-53(69)65-33-45(63-55(71)35(2)61-4)57(73)67(49-17-13-11-15-47(49)65)31-43-41-25-23-39(59)29-37(41)21-27-51(43)75-6/h10-17,20-29,34-35,44-45,60-61H,7-9,18-19,30-33H2,1-6H3,(H,62,70)(H,63,71)/t34-,35-,44-,45-/m0/s1 UOOVZPYCEUOIRH-JXJQUFNJSA-N 240895 US9409888, 17 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 6652 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240895&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76284309 341093217 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420396 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(n2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C57H55Br2N9O8/c1-32(60-3)52(69)63-44-30-67(48-16-9-7-14-46(48)65(56(44)73)28-40-38-22-20-36(58)26-34(38)18-24-50(40)75-5)54(71)42-12-11-13-43(62-42)55(72)68-31-45(64-53(70)33(2)61-4)57(74)66(47-15-8-10-17-49(47)68)29-41-39-23-21-37(59)27-35(39)19-25-51(41)76-6/h7-27,32-33,44-45,60-61H,28-31H2,1-6H3,(H,63,69)(H,64,70)/t32-,33-,44-,45-/m0/s1 BYEWOHNSGVZTKI-GQZZGPPCSA-N 240896 US9409888, 7 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 11080 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240896 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240896&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76283049 341093218 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420397 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CCCCCCC(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C58H64Br2N8O8/c1-35(61-3)55(71)63-45-33-65(47-15-11-13-17-49(47)67(57(45)73)31-43-41-25-23-39(59)29-37(41)21-27-51(43)75-5)53(69)19-9-7-8-10-20-54(70)66-34-46(64-56(72)36(2)62-4)58(74)68(50-18-14-12-16-48(50)66)32-44-42-26-24-40(60)30-38(42)22-28-52(44)76-6/h11-18,21-30,35-36,45-46,61-62H,7-10,19-20,31-34H2,1-6H3,(H,63,71)(H,64,72)/t35-,36-,45-,46-/m0/s1 BHKFQSLHSMCXAC-AQALWICOSA-N 240897 US9409888, 18 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >5480 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240897&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76284310 341093219 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420398 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc3ccc(cc3c2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C62H58Br2N8O8/c1-35(65-3)57(73)67-49-33-71(53-13-9-7-11-51(53)69(61(49)77)31-47-45-23-21-43(63)29-38(45)19-25-55(47)79-5)59(75)40-17-15-37-16-18-41(28-42(37)27-40)60(76)72-34-50(68-58(74)36(2)66-4)62(78)70(52-12-8-10-14-54(52)72)32-48-46-24-22-44(64)30-39(46)20-26-56(48)80-6/h7-30,35-36,49-50,65-66H,31-34H2,1-6H3,(H,67,73)(H,68,74)/t35-,36-,49-,50-/m0/s1 DVCZULJQUBIBRA-HLGNEWOLSA-N 240898 US9409888, 20 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 4976 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240898&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76284572 341093220 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420399 CN[C@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(Oc3ccc(cc3)C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(OC)ccc5cc(Br)ccc45)c4ccccc34)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C64H60Br2N8O9/c1-37(67-3)59(75)69-51-35-73(55-13-9-7-11-53(55)71(63(51)79)33-49-47-27-21-43(65)31-41(47)19-29-57(49)81-5)61(77)39-15-23-45(24-16-39)83-46-25-17-40(18-26-46)62(78)74-36-52(70-60(76)38(2)68-4)64(80)72(54-12-8-10-14-56(54)74)34-50-48-28-22-44(66)32-42(48)20-30-58(50)82-6/h7-32,37-38,51-52,67-68H,33-36H2,1-6H3,(H,69,75)(H,70,76)/t37-,38+,51-,52-/m0/s1 XGUNLKVECPOSEU-YSFKWEKFSA-N 240899 US9409888, 11 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >5480 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240899&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 129625738 341093221 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420400 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4ccccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O InChI=1S/C58H58N8O8/c1-35(59-3)53(67)61-45-33-65(49-21-13-11-19-47(49)63(57(45)71)31-43-41-17-9-7-15-37(41)27-29-51(43)73-5)55(69)39-23-25-40(26-24-39)56(70)66-34-46(62-54(68)36(2)60-4)58(72)64(48-20-12-14-22-50(48)66)32-44-42-18-10-8-16-38(42)28-30-52(44)74-6/h7-30,35-36,45-46,59-60H,31-34H2,1-6H3,(H,61,67)(H,62,68)/t35-,36-,45-,46-/m0/s1 JHXQJXZMVVMYBN-AQALWICOSA-N 240900 US9409888, 25 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >5480 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240900&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76281015 341093222 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420401 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(OC)ccc5cc(Br)ccc45)c4ccccc34)c(C)c2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C59H58Br2N8O8/c1-33-26-38(56(72)68-31-46(64-54(70)34(2)62-4)58(74)66(48-12-8-10-14-50(48)68)29-44-42-22-19-39(60)27-36(42)17-24-52(44)76-6)16-21-41(33)57(73)69-32-47(65-55(71)35(3)63-5)59(75)67(49-13-9-11-15-51(49)69)30-45-43-23-20-40(61)28-37(43)18-25-53(45)77-7/h8-28,34-35,46-47,62-63H,29-32H2,1-7H3,(H,64,70)(H,65,71)/t34-,35-,46-,47-/m0/s1 PJTRCKWNFSSWCE-CLBURSBNSA-N 240901 US9409888, 10 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >5480 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240901&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76283534 341093223 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420402 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cc(C)c(cc2C)C(=O)N2C[C@H](NC(=O)[C@H](C)N)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C59H58Br2N8O8/c1-32-25-43(57(73)69-31-47(65-55(71)35(4)63-5)59(75)67(49-13-9-11-15-51(49)69)29-45-41-21-19-39(61)27-37(41)17-23-53(45)77-7)33(2)24-42(32)56(72)68-30-46(64-54(70)34(3)62)58(74)66(48-12-8-10-14-50(48)68)28-44-40-20-18-38(60)26-36(40)16-22-52(44)76-6/h8-27,34-35,46-47,63H,28-31,62H2,1-7H3,(H,64,70)(H,65,71)/t34-,35-,46-,47-/m0/s1 WHHWXTAPRGBQGN-CLBURSBNSA-N 240902 US9409888, 13 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >5480 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240902&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90221060 341093224 C03803 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420403 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(c2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C58H56Br2N8O8/c1-33(61-3)53(69)63-45-31-67(49-16-9-7-14-47(49)65(57(45)73)29-43-41-22-20-39(59)27-35(41)18-24-51(43)75-5)55(71)37-12-11-13-38(26-37)56(72)68-32-46(64-54(70)34(2)62-4)58(74)66(48-15-8-10-17-50(48)68)30-44-42-23-21-40(60)28-36(42)19-25-52(44)76-6/h7-28,33-34,45-46,61-62H,29-32H2,1-6H3,(H,63,69)(H,64,70)/t33-,34-,45-,46-/m0/s1 PQGPVQQEGIDVFM-MLLHAFNLSA-N 240903 US9409888, 6 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >5480 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240903&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76281539 341093225 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420404 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cncc(c2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccccc23)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C57H55Br2N9O8/c1-32(60-3)52(69)63-44-30-67(48-13-9-7-11-46(48)65(56(44)73)28-42-40-19-17-38(58)24-34(40)15-21-50(42)75-5)54(71)36-23-37(27-62-26-36)55(72)68-31-45(64-53(70)33(2)61-4)57(74)66(47-12-8-10-14-49(47)68)29-43-41-20-18-39(59)25-35(41)16-22-51(43)76-6/h7-27,32-33,44-45,60-61H,28-31H2,1-6H3,(H,63,69)(H,64,70)/t32-,33-,44-,45-/m0/s1 QFQACUKMMOURCC-GQZZGPPCSA-N 240904 US9409888, 8 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >5480 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240904&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 76283292 341093226 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 420405 CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(cc2)C(=O)N2C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4cc(Br)ccc34)c3ccc(cc23)C#N)c2cc(ccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O)C#N InChI=1S/C60H54Br2N10O8/c1-33(65-3)55(73)67-47-31-71(51-23-35(27-63)7-19-49(51)69(59(47)77)29-45-43-17-15-41(61)25-39(43)13-21-53(45)79-5)57(75)37-9-11-38(12-10-37)58(76)72-32-48(68-56(74)34(2)66-4)60(78)70(50-20-8-36(28-64)24-52(50)72)30-46-44-18-16-42(62)26-40(44)14-22-54(46)80-6/h7-26,33-34,47-48,65-66H,29-32H2,1-6H3,(H,67,73)(H,68,74)/t33-,34-,47-,48-/m0/s1 HTOSWKJYDYFOEH-KUFAWANDSA-N 240905 US9409888, 27 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 4495 7.5 25.00 C US Patent 10.7270/Q2R78D4N aid1803266 US9409888 Mischke, SG Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=240905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=240905&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90231685 341093227 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 416949 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1[C@H](C(=O)Nc2c(F)cccc2F)C(C)(C)c2ccccc12 InChI=1S/C26H32F2N4O3/c1-14(2)20(30-23(33)15(3)29-6)25(35)32-19-13-8-7-10-16(19)26(4,5)22(32)24(34)31-21-17(27)11-9-12-18(21)28/h7-15,20,22,29H,1-6H3,(H,30,33)(H,31,34)/t15-,20-,22+/m0/s1 JVKFCLCUILQTAK-GJULWVSJSA-N 238829 US9403768, 1 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2BC3XG3 aid1803190 US9403768 Hogg, JH; Remiszewski, S; Yun, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238829&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73442923 340132167 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 416950 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1[C@@H](Cc2ccccc12)C(N)=O InChI=1S/C18H26N4O3/c1-10(2)15(21-17(24)11(3)20-4)18(25)22-13-8-6-5-7-12(13)9-14(22)16(19)23/h5-8,10-11,14-15,20H,9H2,1-4H3,(H2,19,23)(H,21,24)/t11-,14-,15-/m0/s1 DQGJEZPERGYKQV-CQDKDKBSSA-N 238830 US9403768, 2 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2BC3XG3 aid1803190 US9403768 Hogg, JH; Remiszewski, S; Yun, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238830&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117871469 340132168 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 416951 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1[C@@H](Cc2ccccc12)C(=O)NCc1ccccc1 InChI=1S/C25H32N4O3/c1-16(2)22(28-23(30)17(3)26-4)25(32)29-20-13-9-8-12-19(20)14-21(29)24(31)27-15-18-10-6-5-7-11-18/h5-13,16-17,21-22,26H,14-15H2,1-4H3,(H,27,31)(H,28,30)/t17-,21-,22-/m0/s1 BRAIPJPEKYOWOF-HSQYWUDLSA-N 238831 US9403768, 3 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2BC3XG3 aid1803190 US9403768 Hogg, JH; Remiszewski, S; Yun, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238831&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117870989 340132169 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 416952 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1[C@@H](Cc2ccccc12)C(=O)NCc1cc(F)ccc1C InChI=1S/C26H33FN4O3/c1-15(2)23(30-24(32)17(4)28-5)26(34)31-21-9-7-6-8-18(21)13-22(31)25(33)29-14-19-12-20(27)11-10-16(19)3/h6-12,15,17,22-23,28H,13-14H2,1-5H3,(H,29,33)(H,30,32)/t17-,22-,23-/m0/s1 BUAAXJYLVOUDGL-RTFZILSDSA-N 238832 US9403768, 4 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2BC3XG3 aid1803190 US9403768 Hogg, JH; Remiszewski, S; Yun, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238832&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117872371 340132170 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 416953 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1[C@@H](Cc2ccccc12)C(=O)Nc1ccccc1C(=O)c1ccccc1 InChI=1S/C31H34N4O4/c1-19(2)27(34-29(37)20(3)32-4)31(39)35-25-17-11-8-14-22(25)18-26(35)30(38)33-24-16-10-9-15-23(24)28(36)21-12-6-5-7-13-21/h5-17,19-20,26-27,32H,18H2,1-4H3,(H,33,38)(H,34,37)/t20-,26-,27-/m0/s1 MQXBWRKEJIVKQK-RZDWPUGNSA-N 238833 US9403768, 5 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2BC3XG3 aid1803190 US9403768 Hogg, JH; Remiszewski, S; Yun, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238833&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117886634 340132171 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 416954 CN[C@@H](C)C(=O)N[C@H](C(=O)N1[C@@H](Cc2ccccc12)C(=O)NCc1cc(F)ccc1C)c1ccccc1 InChI=1S/C29H31FN4O3/c1-18-13-14-23(30)15-22(18)17-32-28(36)25-16-21-11-7-8-12-24(21)34(25)29(37)26(20-9-5-4-6-10-20)33-27(35)19(2)31-3/h4-15,19,25-26,31H,16-17H2,1-3H3,(H,32,36)(H,33,35)/t19-,25-,26-/m0/s1 GQUQVPSQPADHBH-CNVLFFCLSA-N 238834 US9403768, 6 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2BC3XG3 aid1803190 US9403768 Hogg, JH; Remiszewski, S; Yun, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238834&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117871180 340132172 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 416955 CN[C@@H](C)C(=O)N[C@H](C(=O)N1[C@@H](Cc2ccccc12)C(N)=O)c1ccccc1 InChI=1S/C21H24N4O3/c1-13(23-2)20(27)24-18(14-8-4-3-5-9-14)21(28)25-16-11-7-6-10-15(16)12-17(25)19(22)26/h3-11,13,17-18,23H,12H2,1-2H3,(H2,22,26)(H,24,27)/t13-,17-,18-/m0/s1 KKAYVCMQRFGAAY-KKXDTOCCSA-N 238835 US9403768, 7 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2BC3XG3 aid1803190 US9403768 Hogg, JH; Remiszewski, S; Yun, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238835&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117870970 340132173 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 416956 CN[C@@H](C)C(=O)N[C@H](C(=O)N1[C@@H](Cc2ccccc12)C(=O)Nc1ccccc1)c1ccccc1 InChI=1S/C27H28N4O3/c1-18(28-2)25(32)30-24(19-11-5-3-6-12-19)27(34)31-22-16-10-9-13-20(22)17-23(31)26(33)29-21-14-7-4-8-15-21/h3-16,18,23-24,28H,17H2,1-2H3,(H,29,33)(H,30,32)/t18-,23-,24-/m0/s1 SXGUMECDXUJBHY-NWVWQQAFSA-N 238836 US9403768, 8 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2BC3XG3 aid1803190 US9403768 Hogg, JH; Remiszewski, S; Yun, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238836&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117872174 340132174 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 416957 CN[C@@H](C)C(=O)N[C@H](C(=O)N1[C@@H](Cc2ccccc12)C(=O)Nc1ccccc1-c1ccccc1)c1ccccc1 InChI=1S/C33H32N4O3/c1-22(34-2)31(38)36-30(24-15-7-4-8-16-24)33(40)37-28-20-12-9-17-25(28)21-29(37)32(39)35-27-19-11-10-18-26(27)23-13-5-3-6-14-23/h3-20,22,29-30,34H,21H2,1-2H3,(H,35,39)(H,36,38)/t22-,29-,30-/m0/s1 CZIYTJPCQLULDO-AXRGIPJOSA-N 238837 US9403768, 9 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2BC3XG3 aid1803190 US9403768 Hogg, JH; Remiszewski, S; Yun, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238837&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117872952 340132175 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 416958 CN[C@@H](C)C(=O)N[C@H](C(=O)N1[C@@H](Cc2ccccc12)C(=O)Nc1ccccc1OC)c1ccccc1 InChI=1S/C28H30N4O4/c1-18(29-2)26(33)31-25(19-11-5-4-6-12-19)28(35)32-22-15-9-7-13-20(22)17-23(32)27(34)30-21-14-8-10-16-24(21)36-3/h4-16,18,23,25,29H,17H2,1-3H3,(H,30,34)(H,31,33)/t18-,23-,25-/m0/s1 JUXJGXGRLAAUNQ-WYRQLCSISA-N 238838 US9403768, 10 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2BC3XG3 aid1803190 US9403768 Hogg, JH; Remiszewski, S; Yun, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238838&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117886657 340132176 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 416959 CN[C@@H](C)C(=O)N[C@H](C(=O)N1[C@@H](Cc2ccccc12)C(=O)NCc1ccccc1)c1ccccc1 InChI=1S/C28H30N4O3/c1-19(29-2)26(33)31-25(21-13-7-4-8-14-21)28(35)32-23-16-10-9-15-22(23)17-24(32)27(34)30-18-20-11-5-3-6-12-20/h3-16,19,24-25,29H,17-18H2,1-2H3,(H,30,34)(H,31,33)/t19-,24-,25-/m0/s1 CQOHSROJVMHERP-LQGLAIQGSA-N 238839 US9403768, 11 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 33170 7.5 37.00 C US Patent 10.7270/Q2BC3XG3 aid1803190 US9403768 Hogg, JH; Remiszewski, S; Yun, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238839&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117886658 340132177 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 416960 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1[C@@H](Cc2ccccc12)C(=O)Nc1c(F)cccc1F InChI=1S/C24H28F2N4O3/c1-13(2)20(28-22(31)14(3)27-4)24(33)30-18-11-6-5-8-15(18)12-19(30)23(32)29-21-16(25)9-7-10-17(21)26/h5-11,13-14,19-20,27H,12H2,1-4H3,(H,28,31)(H,29,32)/t14-,19-,20-/m0/s1 MIGUACSHWHEKTK-GKCIPKSASA-N 238840 US9403768, 12 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2BC3XG3 aid1803190 US9403768 Hogg, JH; Remiszewski, S; Yun, W Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=238840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=238840&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 117887617 340132178 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423546 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C35H35BrN4O5/c1-20(37-4)33(42)38-32-21(2)40(34(43)24-15-13-23(14-16-24)22(3)41)30-12-7-6-11-29(30)39(35(32)44)19-27-25-9-8-10-28(36)26(25)17-18-31(27)45-5/h6-18,20-21,32,37H,19H2,1-5H3,(H,38,42)/t20-,21-,32-/m0/s1 PUOMKIKLDBHALP-XTTQDGHVSA-N 242783 US9422331, 1 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 16040 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242783 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242783&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73388485 341094922 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423547 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C35H35BrN4O5/c1-20(37-4)33(42)38-32-21(2)40(34(43)24-12-10-23(11-13-24)22(3)41)30-9-7-6-8-29(30)39(35(32)44)19-28-27-16-15-26(36)18-25(27)14-17-31(28)45-5/h6-18,20-21,32,37H,19H2,1-5H3,(H,38,42)/t20-,21-,32-/m0/s1 JYOVYYKXMHCZSC-XTTQDGHVSA-N 242784 US9422331, 2 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 13300 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242784&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90082374 341094923 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423548 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O InChI=1S/C38H35N7O4/c1-23(40-4)36(47)41-35-24(2)44(37(48)27-19-17-26(18-20-27)25(3)46)34-16-10-9-15-33(34)43(38(35)49)22-30-29-12-6-8-14-32(29)45(42-30)31-13-7-5-11-28(31)21-39/h5-20,23-24,35,40H,22H2,1-4H3,(H,41,47)/t23-,24-,35-/m0/s1 VYMJMIRROUFMMY-ZHCZTUKZSA-N 242785 US9422331, 3 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242785 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242785&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90082539 341094924 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423549 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C(C)=O)c2ccccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O InChI=1S/C36H37N5O4/c1-21(37-4)34(43)39-33-22(2)41(35(44)26-17-13-24(14-18-26)23(3)42)32-12-8-7-11-31(32)40(36(33)45)20-29-27-9-5-6-10-30(27)38-19-28(29)25-15-16-25/h5-14,17-19,21-22,25,33,37H,15-16,20H2,1-4H3,(H,39,43)/t21-,22-,33-/m0/s1 FSSFEVHWWBPTSY-RACYCIBVSA-N 242786 US9422331, 4 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 15100 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242786 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242786&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90082434 341094925 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423550 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C#N)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C34H32BrN5O4/c1-20(37-3)32(41)38-31-21(2)40(33(42)23-11-9-22(18-36)10-12-23)29-8-6-5-7-28(29)39(34(31)43)19-27-26-15-14-25(35)17-24(26)13-16-30(27)44-4/h5-17,20-21,31,37H,19H2,1-4H3,(H,38,41)/t20-,21-,31-/m0/s1 IHQDYZPHPDSPOE-IHPVIADISA-N 242787 US9422331, 5 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 14710 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242787&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90082335 341094926 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423551 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)c2ccc(cc2)C#N)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N InChI=1S/C38H31N9O3/c1-23(42-3)36(48)43-35-24(2)46(37(49)27-15-12-25(19-39)13-16-27)34-18-26(20-40)14-17-33(34)45(38(35)50)22-30-29-9-5-7-11-32(29)47(44-30)31-10-6-4-8-28(31)21-41/h4-18,23-24,35,42H,22H2,1-3H3,(H,43,48)/t23-,24-,35-/m0/s1 PWHIXNXPTSFUEC-ZHCZTUKZSA-N 242788 US9422331, 6 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 45550 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242788&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90082461 341094927 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423552 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C32H37BrN4O5/c1-19(34-3)30(38)35-29-20(2)37(31(39)21-13-15-42-16-14-21)27-8-6-5-7-26(27)36(32(29)40)18-25-24-11-10-23(33)17-22(24)9-12-28(25)41-4/h5-12,17,19-21,29,34H,13-16,18H2,1-4H3,(H,35,38)/t19-,20-,29-/m0/s1 PHYPBWWREZJXHY-SGHJWQDXSA-N 242789 US9422331, 7 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 10620 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242789&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90082484 341094928 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423553 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C32H37BrN4O5/c1-19(34-3)30(38)35-29-20(2)37(31(39)21-14-16-42-17-15-21)27-11-6-5-10-26(27)36(32(29)40)18-24-22-8-7-9-25(33)23(22)12-13-28(24)41-4/h5-13,19-21,29,34H,14-18H2,1-4H3,(H,35,38)/t19-,20-,29-/m0/s1 SWKZBYGNIQQJGJ-SGHJWQDXSA-N 242790 US9422331, 8 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 30600 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242790&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90082520 341094929 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423554 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O InChI=1S/C32H38N4O5/c1-20(33-3)30(37)34-29-21(2)36(31(38)23-15-17-41-18-16-23)27-12-8-7-11-26(27)35(32(29)39)19-25-24-10-6-5-9-22(24)13-14-28(25)40-4/h5-14,20-21,23,29,33H,15-19H2,1-4H3,(H,34,37)/t20-,21-,29-/m0/s1 HXWOVKOYSOTQHJ-WURXVLGASA-N 242791 US9422331, 9 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 32390 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242791&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90082402 341094930 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423555 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C29H33BrN4O6S/c1-17(31-3)28(36)32-27-18(2)34(26(35)16-41(5,38)39)24-9-7-6-8-23(24)33(29(27)37)15-22-21-12-11-20(30)14-19(21)10-13-25(22)40-4/h6-14,17-18,27,31H,15-16H2,1-5H3,(H,32,36)/t17-,18-,27-/m0/s1 QWYSUQIZLNHTSH-VFUKXHBFSA-N 50441826 CHEMBL2436216::US9422331, 10 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 29180 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441826&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72712127 175454143 CHEMBL2436216 ZINC96285533 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423556 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C29H33BrN4O6S/c1-17(31-3)28(36)32-27-18(2)34(26(35)16-41(5,38)39)24-12-7-6-11-23(24)33(29(27)37)15-21-19-9-8-10-22(30)20(19)13-14-25(21)40-4/h6-14,17-18,27,31H,15-16H2,1-5H3,(H,32,36)/t17-,18-,27-/m0/s1 PXWZNFSPEPDNTD-VFUKXHBFSA-N 50441827 CHEMBL2436217::US9422331, 11 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 24910 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441827&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72712129 175454144 CHEMBL2436217 ZINC96285534 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423557 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2cc(=O)oc3cc(OC)ccc23)C1=O InChI=1S/C28H32N4O8S/c1-16(29-3)27(35)30-26-17(2)32(24(33)15-41(5,37)38)22-9-7-6-8-21(22)31(28(26)36)14-18-12-25(34)40-23-13-19(39-4)10-11-20(18)23/h6-13,16-17,26,29H,14-15H2,1-5H3,(H,30,35)/t16-,17-,26-/m0/s1 TXWTZJBXCHLEIH-FXFTYNISSA-N 242792 US9422331, 12 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242792&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73427177 341094931 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423558 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O InChI=1S/C29H34N4O6S/c1-18(30-3)28(35)31-27-19(2)33(26(34)17-40(5,37)38)24-13-9-8-12-23(24)32(29(27)36)16-22-21-11-7-6-10-20(21)14-15-25(22)39-4/h6-15,18-19,27,30H,16-17H2,1-5H3,(H,31,35)/t18-,19-,27-/m0/s1 BGYFKRZCGFJTOF-BATDWUPUSA-N 50441809 CHEMBL2436218::US9422331, 13 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441809&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72712131 175454126 CHEMBL2436218 ZINC96285517 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423559 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(C)cnc3ccccc23)C1=O InChI=1S/C28H33N5O5S/c1-17-14-30-22-11-7-6-10-20(22)21(17)15-32-23-12-8-9-13-24(23)33(25(34)16-39(5,37)38)19(3)26(28(32)36)31-27(35)18(2)29-4/h6-14,18-19,26,29H,15-16H2,1-5H3,(H,31,35)/t18-,19-,26-/m0/s1 JKVAHJNLGRWRBH-DGUDUIIESA-N 242793 US9422331, 14 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242793&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73427179 341094932 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423560 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(C)c(Cl)nc3ccccc23)C1=O InChI=1S/C28H32ClN5O5S/c1-16-20(19-10-6-7-11-21(19)31-26(16)29)14-33-22-12-8-9-13-23(22)34(24(35)15-40(5,38)39)18(3)25(28(33)37)32-27(36)17(2)30-4/h6-13,17-18,25,30H,14-15H2,1-5H3,(H,32,36)/t17-,18-,25-/m0/s1 MKRMRQANJYYBAU-RPPIVITFSA-N 242794 US9422331, 15 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 37470 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242794&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73427181 341094933 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423561 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2ccnc3ccccc23)C1=O InChI=1S/C27H31N5O5S/c1-17(28-3)26(34)30-25-18(2)32(24(33)16-38(4,36)37)23-12-8-7-11-22(23)31(27(25)35)15-19-13-14-29-21-10-6-5-9-20(19)21/h5-14,17-18,25,28H,15-16H2,1-4H3,(H,30,34)/t17-,18-,25-/m0/s1 NESPDUUAGUFDTI-RPPIVITFSA-N 242795 US9422331, 16 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242795&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73427183 341094934 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423562 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)COC)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O InChI=1S/C29H33BrN4O5/c1-17(31-3)28(36)32-27-18(2)34(26(35)16-38-4)24-9-7-6-8-23(24)33(29(27)37)15-22-21-12-11-20(30)14-19(21)10-13-25(22)39-5/h6-14,17-18,27,31H,15-16H2,1-5H3,(H,32,36)/t17-,18-,27-/m0/s1 QLDBYDAHXTVYCQ-VFUKXHBFSA-N 242796 US9422331, 17 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 50260 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242796&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90089029 341094935 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423563 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O InChI=1S/C29H33N5O3/c1-17(30-4)28(36)32-27-18(2)34(19(3)35)26-12-8-7-11-25(26)33(29(27)37)16-23-21-9-5-6-10-24(21)31-15-22(23)20-13-14-20/h5-12,15,17-18,20,27,30H,13-14,16H2,1-4H3,(H,32,36)/t17-,18-,27-/m0/s1 YNDJSCYVSRFGDS-VFUKXHBFSA-N 242797 US9422331, 18 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 18090 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242797&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73425655 341094936 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423564 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O InChI=1S/C31H31N7O3/c1-19(33-4)30(40)34-29-20(2)37(21(3)39)28-16-10-9-15-27(28)36(31(29)41)18-24-23-12-6-8-14-26(23)38(35-24)25-13-7-5-11-22(25)17-32/h5-16,19-20,29,33H,18H2,1-4H3,(H,34,40)/t19-,20-,29-/m0/s1 QVBGRNVMTZSGGY-SGHJWQDXSA-N 242798 US9422331, 19 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242798&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73425656 341094937 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423565 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2c(C)cnc3ccccc23)C1=O InChI=1S/C27H31N5O3/c1-16-14-29-22-11-7-6-10-20(22)21(16)15-31-23-12-8-9-13-24(23)32(19(4)33)18(3)25(27(31)35)30-26(34)17(2)28-5/h6-14,17-18,25,28H,15H2,1-5H3,(H,30,34)/t17-,18-,25-/m0/s1 YYCXQMKDRLZUKM-RPPIVITFSA-N 242799 US9422331, 20 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242799&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73427080 341094938 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423566 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O InChI=1S/C28H32N4O4/c1-17(29-4)27(34)30-26-18(2)32(19(3)33)24-13-9-8-12-23(24)31(28(26)35)16-22-21-11-7-6-10-20(21)14-15-25(22)36-5/h6-15,17-18,26,29H,16H2,1-5H3,(H,30,34)/t17-,18-,26-/m0/s1 PULKICJRVMLMFR-XWXLMPLOSA-N 242800 US9422331, 21 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 34020 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242800&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73427082 341094939 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423567 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C28H32N4O3/c1-17-14-15-21-10-6-7-11-22(21)23(17)16-31-24-12-8-9-13-25(24)32(20(4)33)19(3)26(28(31)35)30-27(34)18(2)29-5/h6-15,18-19,26,29H,16H2,1-5H3,(H,30,34)/t18-,19-,26-/m0/s1 RNDUYWSSTYCMKX-DGUDUIIESA-N 242801 US9422331, 22 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242801&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73425660 341094940 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423568 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2ccccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O InChI=1S/C33H39N5O4/c1-20(34-3)31(39)36-30-21(2)38(32(40)23-14-16-42-17-15-23)29-11-7-6-10-28(29)37(33(30)41)19-26-24-8-4-5-9-27(24)35-18-25(26)22-12-13-22/h4-11,18,20-23,30,34H,12-17,19H2,1-3H3,(H,36,39)/t20-,21-,30-/m0/s1 ZNDNWBUCIFOOFB-LPBFERMMSA-N 242802 US9422331, 23 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 14540 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242802&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90082671 341094941 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423569 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O InChI=1S/C35H37N7O4/c1-22(37-3)33(43)38-32-23(2)41(34(44)24-16-18-46-19-17-24)31-15-9-8-14-30(31)40(35(32)45)21-27-26-11-5-7-13-29(26)42(39-27)28-12-6-4-10-25(28)20-36/h4-15,22-24,32,37H,16-19,21H2,1-3H3,(H,38,43)/t22-,23-,32-/m0/s1 QDMCAKXVASMHHN-HYUGZUBYSA-N 242803 US9422331, 24 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242803&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90082360 341094942 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423570 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccc(cc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N InChI=1S/C30H32BrN5O6S/c1-17(33-3)29(38)34-28-18(2)36(27(37)16-43(5,40)41)24-11-9-19(14-32)13-25(24)35(30(28)39)15-22-20-7-6-8-23(31)21(20)10-12-26(22)42-4/h6-13,17-18,28,33H,15-16H2,1-5H3,(H,34,38)/t17-,18-,28-/m0/s1 ITHWOTWNRXCJCM-RAALOAAWSA-N 242804 US9422331, 25 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 25080 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242804&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73425658 341094943 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423571 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O)C#N InChI=1S/C30H32BrN5O6S/c1-17(33-3)29(38)34-28-18(2)36(27(37)16-43(5,40)41)25-13-19(14-32)9-11-24(25)35(30(28)39)15-22-20-7-6-8-23(31)21(20)10-12-26(22)42-4/h6-13,17-18,28,33H,15-16H2,1-5H3,(H,34,38)/t17-,18-,28-/m0/s1 QZWAOOPKUULGAJ-RAALOAAWSA-N 242805 US9422331, 26 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 16820 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242805&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73425766 341094944 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423572 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(OC)ccc3ccccc23)C1=O)C#N InChI=1S/C30H33N5O6S/c1-18(32-3)29(37)33-28-19(2)35(27(36)17-42(5,39)40)25-14-20(15-31)10-12-24(25)34(30(28)38)16-23-22-9-7-6-8-21(22)11-13-26(23)41-4/h6-14,18-19,28,32H,16-17H2,1-5H3,(H,33,37)/t18-,19-,28-/m0/s1 KAOBYIPCGFGNBY-CLWPXKJUSA-N 50441821 CHEMBL2436223::US9422331, 27 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 12880 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441821&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72712570 175454138 CHEMBL2436223 ZINC96285529 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423573 CCN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N InChI=1S/C31H35N5O5S/c1-6-33-20(3)30(38)34-29-21(4)36(28(37)18-42(5,40)41)27-15-22(16-32)12-14-26(27)35(31(29)39)17-25-19(2)11-13-23-9-7-8-10-24(23)25/h7-15,20-21,29,33H,6,17-18H2,1-5H3,(H,34,38)/t20-,21-,29-/m0/s1 ZLLWXIZFAOBFHN-WURXVLGASA-N 242806 US9422331, 28 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242806&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73425764 341094945 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423574 CC[C@H](NC)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N InChI=1S/C31H35N5O5S/c1-6-25(33-4)30(38)34-29-20(3)36(28(37)18-42(5,40)41)27-15-21(16-32)12-14-26(27)35(31(29)39)17-24-19(2)11-13-22-9-7-8-10-23(22)24/h7-15,20,25,29,33H,6,17-18H2,1-5H3,(H,34,38)/t20-,25-,29-/m0/s1 ZCNDJAKSDWSZNN-POWSXZFQSA-N 242807 US9422331, 29 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 12150 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242807&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73425762 341094946 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423575 CCN[C@@H](CC)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N InChI=1S/C32H37N5O5S/c1-6-26(34-7-2)31(39)35-30-21(4)37(29(38)19-43(5,41)42)28-16-22(17-33)13-15-27(28)36(32(30)40)18-25-20(3)12-14-23-10-8-9-11-24(23)25/h8-16,21,26,30,34H,6-7,18-19H2,1-5H3,(H,35,39)/t21-,26-,30-/m0/s1 COHOWWPPBPEALO-GLSOUHKVSA-N 242808 US9422331, 30 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 27190 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242808&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73425768 341094947 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423576 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2c(OC)ccc3ccccc23)C1=O)C#N InChI=1S/C29H31N5O4/c1-17(31-4)28(36)32-27-18(2)34(19(3)35)25-14-20(15-30)10-12-24(25)33(29(27)37)16-23-22-9-7-6-8-21(22)11-13-26(23)38-5/h6-14,17-18,27,31H,16H2,1-5H3,(H,32,36)/t17-,18-,27-/m0/s1 HIFDPWOYCPYURM-VFUKXHBFSA-N 50441807 CHEMBL2436225::US9422331, 31 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 23240 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441807&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72714054 175454124 CHEMBL2436225 ZINC96285515 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423577 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N InChI=1S/C29H31N5O3/c1-17-10-12-22-8-6-7-9-23(22)24(17)16-33-25-13-11-21(15-30)14-26(25)34(20(4)35)19(3)27(29(33)37)32-28(36)18(2)31-5/h6-14,18-19,27,31H,16H2,1-5H3,(H,32,36)/t18-,19-,27-/m0/s1 STBLNCCBQMHSRC-BATDWUPUSA-N 50441806 CHEMBL2436226::US9422331, 32 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 28935 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441806&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72714058 175454123 CHEMBL2436226 ZINC96285514 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423578 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C#N InChI=1S/C30H32N6O3/c1-17(32-4)29(38)34-28-18(2)36(19(3)37)27-13-20(14-31)9-12-26(27)35(30(28)39)16-24-22-7-5-6-8-25(22)33-15-23(24)21-10-11-21/h5-9,12-13,15,17-18,21,28,32H,10-11,16H2,1-4H3,(H,34,38)/t17-,18-,28-/m0/s1 HCCKZIHUNIJRNQ-RAALOAAWSA-N 242809 US9422331, 33 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 10760 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242809&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73425873 341094948 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423579 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2cc(ccc2N(Cc2c(OC)ccc3ccccc23)C1=O)C#N InChI=1S/C33H37N5O5/c1-20(35-3)31(39)36-30-21(2)38(32(40)24-13-15-43-16-14-24)28-17-22(18-34)9-11-27(28)37(33(30)41)19-26-25-8-6-5-7-23(25)10-12-29(26)42-4/h5-12,17,20-21,24,30,35H,13-16,19H2,1-4H3,(H,36,39)/t20-,21-,30-/m0/s1 SPDJONXXJSCWDU-LPBFERMMSA-N 242810 US9422331, 34 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 15450 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242810&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90082452 341094949 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423580 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C#N InChI=1S/C34H38N6O4/c1-20(36-3)32(41)38-31-21(2)40(33(42)24-12-14-44-15-13-24)30-16-22(17-35)8-11-29(30)39(34(31)43)19-27-25-6-4-5-7-28(25)37-18-26(27)23-9-10-23/h4-8,11,16,18,20-21,23-24,31,36H,9-10,12-15,19H2,1-3H3,(H,38,41)/t20-,21-,31-/m0/s1 AXLDLVGVTPTNKI-IHPVIADISA-N 242811 US9422331, 35 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 12370 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242811&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90082328 341094950 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423581 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2cc(Br)ccc2OC)C1=O)C#N InChI=1S/C25H28BrN5O4/c1-14(28-4)24(33)29-23-15(2)31(16(3)32)21-10-17(12-27)6-8-20(21)30(25(23)34)13-18-11-19(26)7-9-22(18)35-5/h6-11,14-15,23,28H,13H2,1-5H3,(H,29,33)/t14-,15-,23-/m0/s1 KRFYDBXKYJZJDK-NPGVVQFXSA-N 242812 US9422331, 36 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 53050 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242812&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73425879 341094951 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423582 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2cc(ccc2OC)-c2ccccc2)C1=O)C#N InChI=1S/C31H33N5O4/c1-19(33-4)30(38)34-29-20(2)36(21(3)37)27-15-22(17-32)11-13-26(27)35(31(29)39)18-25-16-24(12-14-28(25)40-5)23-9-7-6-8-10-23/h6-16,19-20,29,33H,18H2,1-5H3,(H,34,38)/t19-,20-,29-/m0/s1 CUHFFFYYNOXTOY-SGHJWQDXSA-N 242813 US9422331, 37 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 5524 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242813&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73425877 341094952 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423583 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(C)=O)c2cc(ccc2N(Cc2cc(ccc2OC)-c2ccccc2F)C1=O)C#N InChI=1S/C31H32FN5O4/c1-18(34-4)30(39)35-29-19(2)37(20(3)38)27-14-21(16-33)10-12-26(27)36(31(29)40)17-23-15-22(11-13-28(23)41-5)24-8-6-7-9-25(24)32/h6-15,18-19,29,34H,17H2,1-5H3,(H,35,39)/t18-,19-,29-/m0/s1 LBFDNWJWBWGNLJ-GWZHAIQQSA-N 242814 US9422331, 38 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 16380 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242814&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73425875 341094953 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423584 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2noc3ccccc23)C1=O InChI=1S/C25H29N5O6S/c1-15(26-3)24(32)27-23-16(2)30(22(31)14-37(4,34)35)20-11-7-6-10-19(20)29(25(23)33)13-18-17-9-5-8-12-21(17)36-28-18/h5-12,15-16,23,26H,13-14H2,1-4H3,(H,27,32)/t15-,16-,23-/m0/s1 PKGJQJIJEUTAME-KXNSMUHISA-N 50441815 CHEMBL2436220::US9422331, 39 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441815&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72712342 175454132 CHEMBL2436220 ZINC96285523 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423585 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2cc(=O)oc3cc(Cl)ccc23)C1=O InChI=1S/C27H29ClN4O7S/c1-15(29-3)26(35)30-25-16(2)32(23(33)14-40(4,37)38)21-8-6-5-7-20(21)31(27(25)36)13-17-11-24(34)39-22-12-18(28)9-10-19(17)22/h5-12,15-16,25,29H,13-14H2,1-4H3,(H,30,35)/t15-,16-,25-/m0/s1 VPUVARHCHWBJIY-NWLBTCKQSA-N 242815 US9422331, 40 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242815&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73425989 341094954 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423586 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2noc3cc(Br)ccc23)C1=O InChI=1S/C25H28BrN5O6S/c1-14(27-3)24(33)28-23-15(2)31(22(32)13-38(4,35)36)20-8-6-5-7-19(20)30(25(23)34)12-18-17-10-9-16(26)11-21(17)37-29-18/h5-11,14-15,23,27H,12-13H2,1-4H3,(H,28,33)/t14-,15-,23-/m0/s1 CDMOQOOUDAINKO-NPGVVQFXSA-N 242816 US9422331, 41 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242816&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73425991 341094955 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423587 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O InChI=1S/C30H35N5O5S/c1-18(31-3)29(37)33-28-19(2)35(27(36)17-41(4,39)40)26-12-8-7-11-25(26)34(30(28)38)16-23-21-9-5-6-10-24(21)32-15-22(23)20-13-14-20/h5-12,15,18-20,28,31H,13-14,16-17H2,1-4H3,(H,33,37)/t18-,19-,28-/m0/s1 QZLSQVDANDFUBV-CLWPXKJUSA-N 242817 US9422331, 42 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 34245 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242817&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73425993 341094956 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423588 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2cc(Cl)ccc2OC)C1=O InChI=1S/C25H31ClN4O6S/c1-15(27-3)24(32)28-23-16(2)30(22(31)14-37(5,34)35)20-9-7-6-8-19(20)29(25(23)33)13-17-12-18(26)10-11-21(17)36-4/h6-12,15-16,23,27H,13-14H2,1-5H3,(H,28,32)/t15-,16-,23-/m0/s1 PMTFHDHYPKXXAD-KXNSMUHISA-N 242818 US9422331, 43 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242818&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73425995 341094957 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423590 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(C)ccc3ccccc23)C1=O InChI=1S/C29H34N4O5S/c1-18-14-15-21-10-6-7-11-22(21)23(18)16-32-24-12-8-9-13-25(24)33(26(34)17-39(5,37)38)20(3)27(29(32)36)31-28(35)19(2)30-4/h6-15,19-20,27,30H,16-17H2,1-5H3,(H,31,35)/t19-,20-,27-/m0/s1 PGECROXJANTNTJ-OSOCVKALSA-N 50441808 CHEMBL2436219::US9422331, 45 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441808&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72712133 175454125 CHEMBL2436219 ZINC96285516 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423591 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2nn(C)c3ccccc23)C1=O InChI=1S/C26H32N6O5S/c1-16(27-3)25(34)28-24-17(2)32(23(33)15-38(5,36)37)22-13-9-8-12-21(22)31(26(24)35)14-19-18-10-6-7-11-20(18)30(4)29-19/h6-13,16-17,24,27H,14-15H2,1-5H3,(H,28,34)/t16-,17-,24-/m0/s1 NPXPHLKQAXBREH-UAVUOLJFSA-N 50441814 CHEMBL2436221::US9422331, 46 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441814&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72712344 175454131 CHEMBL2436221 ZINC96285522 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423592 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC(F)F)ccc3ccccc23)C1=O InChI=1S/C29H32F2N4O6S/c1-17(32-3)27(37)33-26-18(2)35(25(36)16-42(4,39)40)23-12-8-7-11-22(23)34(28(26)38)15-21-20-10-6-5-9-19(20)13-14-24(21)41-29(30)31/h5-14,17-18,26,29,32H,15-16H2,1-4H3,(H,33,37)/t17-,18-,26-/m0/s1 MNIYOTLJSFJWFR-XWXLMPLOSA-N 242819 US9422331, 47 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 40870 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242819&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73426101 341094958 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423593 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2c(OC)cnc3ccccc23)C1=O InChI=1S/C28H33N5O6S/c1-17(29-3)27(35)31-26-18(2)33(25(34)16-40(5,37)38)23-13-9-8-12-22(23)32(28(26)36)15-20-19-10-6-7-11-21(19)30-14-24(20)39-4/h6-14,17-18,26,29H,15-16H2,1-5H3,(H,31,35)/t17-,18-,26-/m0/s1 QFSVMEQHAMMPOE-XWXLMPLOSA-N 242820 US9422331, 48 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 31590 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242820&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73426103 341094959 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423594 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CCOC)c2ccccc2N(Cc2c(OC)ccc3c(Br)cccc23)C1=O InChI=1S/C30H35BrN4O5/c1-18(32-3)29(37)33-28-19(2)35(27(36)15-16-39-4)25-12-7-6-11-24(25)34(30(28)38)17-22-20-9-8-10-23(31)21(20)13-14-26(22)40-5/h6-14,18-19,28,32H,15-17H2,1-5H3,(H,33,37)/t18-,19-,28-/m0/s1 QXTYBVHDSWREHO-CLWPXKJUSA-N 242821 US9422331, 49 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 38050 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242821&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73426105 341094960 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423595 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CCOC)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O InChI=1S/C30H36N4O5/c1-19(31-3)29(36)32-28-20(2)34(27(35)16-17-38-4)25-13-9-8-12-24(25)33(30(28)37)18-23-22-11-7-6-10-21(22)14-15-26(23)39-5/h6-15,19-20,28,31H,16-18H2,1-5H3,(H,32,36)/t19-,20-,28-/m0/s1 UFQKCWATIVDCEZ-JVAKCPTJSA-N 242822 US9422331, 50 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 26610 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242822 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242822&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73426107 341094961 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423596 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N InChI=1S/C30H33N5O5S/c1-18-10-12-22-8-6-7-9-23(22)24(18)16-34-25-13-11-21(15-31)14-26(25)35(27(36)17-41(5,39)40)20(3)28(30(34)38)33-29(37)19(2)32-4/h6-14,19-20,28,32H,16-17H2,1-5H3,(H,33,37)/t19-,20-,28-/m0/s1 JQUOOERRWMBNQL-JVAKCPTJSA-N 50441824 CHEMBL2436224::US9422331, 51 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 34740 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441824&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72712572 175454141 CHEMBL2436224 ZINC96285531 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423597 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2c(cnc3ccccc23)C2CC2)C1=O)C#N InChI=1S/C31H34N6O5S/c1-18(33-3)30(39)35-29-19(2)37(28(38)17-43(4,41)42)27-13-20(14-32)9-12-26(27)36(31(29)40)16-24-22-7-5-6-8-25(22)34-15-23(24)21-10-11-21/h5-9,12-13,15,18-19,21,29,33H,10-11,16-17H2,1-4H3,(H,35,39)/t18-,19-,29-/m0/s1 GIGNJHOYFVCDOD-GWZHAIQQSA-N 242823 US9422331, 52 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 16950 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242823 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242823&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73426203 341094962 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423598 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C#N InChI=1S/C33H32N8O5S/c1-20(36-3)32(43)37-31-21(2)40(30(42)19-47(4,45)46)29-15-22(16-34)13-14-28(29)39(33(31)44)18-25-24-10-6-8-12-27(24)41(38-25)26-11-7-5-9-23(26)17-35/h5-15,20-21,31,36H,18-19H2,1-4H3,(H,37,43)/t20-,21-,31-/m0/s1 VKAPUENCVUDUAS-IHPVIADISA-N 242824 US9422331, 53 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242824 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242824&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73426205 341094963 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423599 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)C2CCOCC2)c2cc(ccc2N(Cc2c(C)ccc3ccccc23)C1=O)C#N InChI=1S/C33H37N5O4/c1-20-9-11-24-7-5-6-8-26(24)27(20)19-37-28-12-10-23(18-34)17-29(28)38(32(40)25-13-15-42-16-14-25)22(3)30(33(37)41)36-31(39)21(2)35-4/h5-12,17,21-22,25,30,35H,13-16,19H2,1-4H3,(H,36,39)/t21-,22-,30-/m0/s1 FDGGPFHMHMJCNR-PWWNZBMUSA-N 242825 US9422331, 54 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 37080 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242825 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242825&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90082528 341094964 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423647 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C24H28F2N4O3/c1-13(2)19(28-22(31)14(3)27-4)24(33)30-12-15-8-5-6-9-16(15)21(30)23(32)29-20-17(25)10-7-11-18(20)26/h5-11,13-14,19,21,27H,12H2,1-4H3,(H,28,31)(H,29,32)/t14-,19-,21-/m0/s1 YNOFZLZJYPZEQY-JBYOLUDKSA-N 242826 US9422332, 1 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 23690 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242826 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242826&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73296814 341094965 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423648 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C27H32F2N4O3/c1-16(30-2)25(34)31-22(17-9-4-3-5-10-17)27(36)33-15-18-11-6-7-12-19(18)24(33)26(35)32-23-20(28)13-8-14-21(23)29/h6-8,11-14,16-17,22,24,30H,3-5,9-10,15H2,1-2H3,(H,31,34)(H,32,35)/t16-,22-,24-/m0/s1 DDWIMXPIGZMOPL-DQLWACAZSA-N 242827 US9422332, 2 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 14440 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242827 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242827&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73295232 341094966 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423649 CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C28H34F2N4O3/c1-17(31-2)26(35)32-23(19-10-4-3-5-11-19)28(37)34-16-15-18-9-6-7-12-20(18)25(34)27(36)33-24-21(29)13-8-14-22(24)30/h6-9,12-14,17,19,23,25,31H,3-5,10-11,15-16H2,1-2H3,(H,32,35)(H,33,36)/t17-,23-,25-/m0/s1 OGFVMPVCWFREMI-XPEQFSOGSA-N 242828 US9422332, 3 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 46800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242828&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73295402 341094967 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423650 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1Cl InChI=1S/C25H30ClFN4O3/c1-14(2)20(29-23(32)15(3)28-4)25(34)31-13-12-16-8-5-6-9-17(16)22(31)24(33)30-21-18(26)10-7-11-19(21)27/h5-11,14-15,20,22,28H,12-13H2,1-4H3,(H,29,32)(H,30,33)/t15-,20-,22-/m0/s1 HDSUEMVVBHXAFF-LVWPNOBMSA-N 242829 US9422332, 4 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 9942 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242829&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73294891 341094968 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423651 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2cc(Cl)ccc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C25H29ClF2N4O3/c1-13(2)20(30-23(33)14(3)29-4)25(35)32-11-10-15-12-16(26)8-9-17(15)22(32)24(34)31-21-18(27)6-5-7-19(21)28/h5-9,12-14,20,22,29H,10-11H2,1-4H3,(H,30,33)(H,31,34)/t14-,20-,22-/m0/s1 GAFFUNZAQFRLEV-FSJXIACGSA-N 242830 US9422332, 5 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 38300 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242830&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90070321 341094969 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423652 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2cc(F)ccc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C25H29F3N4O3/c1-13(2)20(30-23(33)14(3)29-4)25(35)32-11-10-15-12-16(26)8-9-17(15)22(32)24(34)31-21-18(27)6-5-7-19(21)28/h5-9,12-14,20,22,29H,10-11H2,1-4H3,(H,30,33)(H,31,34)/t14-,20-,22-/m0/s1 BWSRUACPTLNELP-FSJXIACGSA-N 242831 US9422332, 6 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242831&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90070333 341094970 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423653 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(Cl)cccc1Cl InChI=1S/C24H28Cl2N4O3/c1-13(2)19(28-22(31)14(3)27-4)24(33)30-12-15-8-5-6-9-16(15)21(30)23(32)29-20-17(25)10-7-11-18(20)26/h5-11,13-14,19,21,27H,12H2,1-4H3,(H,28,31)(H,29,32)/t14-,19-,21-/m0/s1 UXSNKCGXQFHARH-JBYOLUDKSA-N 242832 US9422332, 7 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 7746 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242832 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242832&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73296816 341094971 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423654 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1Cl InChI=1S/C24H28ClFN4O3/c1-13(2)19(28-22(31)14(3)27-4)24(33)30-12-15-8-5-6-9-16(15)21(30)23(32)29-20-17(25)10-7-11-18(20)26/h5-11,13-14,19,21,27H,12H2,1-4H3,(H,28,31)(H,29,32)/t14-,19-,21-/m0/s1 ZBEWQVCPZWVINP-JBYOLUDKSA-N 242833 US9422332, 8 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 4304 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242833 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242833&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73296818 341094972 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423655 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cccc2sccc12 InChI=1S/C26H30N4O3S/c1-15(2)22(29-24(31)16(3)27-4)26(33)30-14-17-8-5-6-9-18(17)23(30)25(32)28-20-10-7-11-21-19(20)12-13-34-21/h5-13,15-16,22-23,27H,14H2,1-4H3,(H,28,32)(H,29,31)/t16-,22-,23-/m0/s1 RSDRESUMVABCOP-GMWOSMDTSA-N 242834 US9422332, 9 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 14830 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242834 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242834&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73296820 341094973 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423656 CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C25H30F2N4O3/c1-5-14(2)20(29-23(32)15(3)28-4)25(34)31-13-16-9-6-7-10-17(16)22(31)24(33)30-21-18(26)11-8-12-19(21)27/h6-12,14-15,20,22,28H,5,13H2,1-4H3,(H,29,32)(H,30,33)/t14-,15-,20-,22-/m0/s1 LCTFKLDICVAVFH-AAOZFHDLSA-N 242850 US9422332, 10 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 15200 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242850&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73296822 341094989 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423657 CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F)C(C)(C)C InChI=1S/C25H30F2N4O3/c1-14(28-5)22(32)30-21(25(2,3)4)24(34)31-13-15-9-6-7-10-16(15)20(31)23(33)29-19-17(26)11-8-12-18(19)27/h6-12,14,20-21,28H,13H2,1-5H3,(H,29,33)(H,30,32)/t14-,20-,21+/m0/s1 YVSLGVHZPIUKJU-SZFUDVHCSA-N 242851 US9422332, 11 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242851&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73296970 341094990 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423658 CN[C@@H](C)C(=O)N[C@@H](C1CCCC1)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C26H30F2N4O3/c1-15(29-2)24(33)30-21(16-8-3-4-9-16)26(35)32-14-17-10-5-6-11-18(17)23(32)25(34)31-22-19(27)12-7-13-20(22)28/h5-7,10-13,15-16,21,23,29H,3-4,8-9,14H2,1-2H3,(H,30,33)(H,31,34)/t15-,21-,23-/m0/s1 CVWDCEZKVJVZSZ-GNOCETLISA-N 242853 US9422332, 13 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 19810 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242853&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73295234 341094992 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423659 CN[C@@H](C)C(=O)N[C@@H](C1CCOCC1)C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C27H32F2N4O4/c1-16(30-2)25(34)31-22(18-11-14-37-15-12-18)27(36)33-13-10-17-6-3-4-7-19(17)24(33)26(35)32-23-20(28)8-5-9-21(23)29/h3-9,16,18,22,24,30H,10-15H2,1-2H3,(H,31,34)(H,32,35)/t16-,22-,24-/m0/s1 ZJGSFXWNPAPPLS-DQLWACAZSA-N 242859 US9422332, 14 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 43900 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242859&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73295408 341094998 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423660 CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C26H32F2N4O3/c1-5-15(2)21(30-24(33)16(3)29-4)26(35)32-14-13-17-9-6-7-10-18(17)23(32)25(34)31-22-19(27)11-8-12-20(22)28/h6-12,15-16,21,23,29H,5,13-14H2,1-4H3,(H,30,33)(H,31,34)/t15-,16-,21-,23-/m0/s1 KSBNQYOCBLBSQW-BAHGIXHPSA-N 242860 US9422332, 15 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242860 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242860&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73295053 341094999 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423661 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2C1C(=O)Nc1ccccc1 InChI=1S/C24H30N4O3/c1-15(2)20(27-22(29)16(3)25-4)24(31)28-14-17-10-8-9-13-19(17)21(28)23(30)26-18-11-6-5-7-12-18/h5-13,15-16,20-21,25H,14H2,1-4H3,(H,26,30)(H,27,29)/t16-,20-,21?/m0/s1 WHPNYQNVPSVJRI-SQWITBJMSA-N 242845 US9422332, 16 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242845 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242845&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73296972 341094984 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423662 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2C1C(=O)Nc1ccccc1OC InChI=1S/C25H32N4O4/c1-15(2)21(28-23(30)16(3)26-4)25(32)29-14-17-10-6-7-11-18(17)22(29)24(31)27-19-12-8-9-13-20(19)33-5/h6-13,15-16,21-22,26H,14H2,1-5H3,(H,27,31)(H,28,30)/t16-,21-,22?/m0/s1 WQEZIDJTMZKOID-HYAAYGGESA-N 242846 US9422332, 17 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 3364 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242846 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242846&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73296974 341094985 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423663 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2[C@@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C24H28F2N4O3/c1-13(2)19(28-22(31)14(3)27-4)24(33)30-12-15-8-5-6-9-16(15)21(30)23(32)29-20-17(25)10-7-11-18(20)26/h5-11,13-14,19,21,27H,12H2,1-4H3,(H,28,31)(H,29,32)/t14-,19-,21+/m0/s1 YNOFZLZJYPZEQY-ONTRVFCTSA-N 242835 US9422332, 18 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242835 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242835&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90070352 341094974 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423664 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2C1C(=O)NCc1ccccc1 InChI=1S/C25H32N4O3/c1-16(2)21(28-23(30)17(3)26-4)25(32)29-15-19-12-8-9-13-20(19)22(29)24(31)27-14-18-10-6-5-7-11-18/h5-13,16-17,21-22,26H,14-15H2,1-4H3,(H,27,31)(H,28,30)/t17-,21-,22?/m0/s1 DWYXOSQSORZHMJ-MNDAUZPPSA-N 242847 US9422332, 19 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 692 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242847 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242847&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73296976 341094986 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423665 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2C1C(=O)NCCc1ccccc1 InChI=1S/C26H34N4O3/c1-17(2)22(29-24(31)18(3)27-4)26(33)30-16-20-12-8-9-13-21(20)23(30)25(32)28-15-14-19-10-6-5-7-11-19/h5-13,17-18,22-23,27H,14-16H2,1-4H3,(H,28,32)(H,29,31)/t18-,22-,23?/m0/s1 SQPRJACUIDCUAT-OFSKKJKASA-N 242848 US9422332, 20 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1914 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242848 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242848&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73296978 341094987 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423666 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cccc2ccccc12 InChI=1S/C28H32N4O3/c1-17(2)24(31-26(33)18(3)29-4)28(35)32-16-20-11-6-8-14-22(20)25(32)27(34)30-23-15-9-12-19-10-5-7-13-21(19)23/h5-15,17-18,24-25,29H,16H2,1-4H3,(H,30,34)(H,31,33)/t18-,24-,25-/m0/s1 OIIRWWPXPNYPLG-WDNCENIBSA-N 242836 US9422332, 21 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 2466 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242836&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72943566 341094975 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423589 CN[C@@H](C)C(=O)N[C@H]1[C@H](C)N(C(=O)CS(C)(=O)=O)c2ccccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O InChI=1S/C32H33N7O5S/c1-20(34-3)31(41)35-30-21(2)38(29(40)19-45(4,43)44)28-16-10-9-15-27(28)37(32(30)42)18-24-23-12-6-8-14-26(23)39(36-24)25-13-7-5-11-22(25)17-33/h5-16,20-21,30,34H,18-19H2,1-4H3,(H,35,41)/t20-,21-,30-/m0/s1 UMTKRFKKIISTSA-LPBFERMMSA-N 50441813 CHEMBL2436222::US9422331, 44 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q2736PT4 aid1803317 US9422331 Donnell, AF; Kester, R; Lou, Y; Anthony, J; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50441813&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 72712346 175454130 CHEMBL2436222 ZINC96285521 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423667 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2[C@@H]1C(=O)Nc1cccc2ccccc12 InChI=1S/C28H32N4O3/c1-17(2)24(31-26(33)18(3)29-4)28(35)32-16-20-11-6-8-14-22(20)25(32)27(34)30-23-15-9-12-19-10-5-7-13-21(19)23/h5-15,17-18,24-25,29H,16H2,1-4H3,(H,30,34)(H,31,33)/t18-,24-,25+/m0/s1 OIIRWWPXPNYPLG-RIEVBORMSA-N 242837 US9422332, 22 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242837&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73297144 341094976 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423668 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1ccc2ccccc2c1 InChI=1S/C28H32N4O3/c1-17(2)24(31-26(33)18(3)29-4)28(35)32-16-21-11-7-8-12-23(21)25(32)27(34)30-22-14-13-19-9-5-6-10-20(19)15-22/h5-15,17-18,24-25,29H,16H2,1-4H3,(H,30,34)(H,31,33)/t18-,24-,25-/m0/s1 OVLLGRFMIOPPBS-WDNCENIBSA-N 242838 US9422332, 23 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 19760 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242838 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242838&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73297146 341094977 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423669 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1ccccc1F InChI=1S/C24H29FN4O3/c1-14(2)20(28-22(30)15(3)26-4)24(32)29-13-16-9-5-6-10-17(16)21(29)23(31)27-19-12-8-7-11-18(19)25/h5-12,14-15,20-21,26H,13H2,1-4H3,(H,27,31)(H,28,30)/t15-,20-,21-/m0/s1 AGSUIXQXNBZLKY-JHVJFLLYSA-N 242839 US9422332, 24 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 17310 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242839&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73297148 341094978 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423670 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C25H30F2N4O3/c1-14(2)20(29-23(32)15(3)28-4)25(34)31-13-12-16-8-5-6-9-17(16)22(31)24(33)30-21-18(26)10-7-11-19(21)27/h5-11,14-15,20,22,28H,12-13H2,1-4H3,(H,29,32)(H,30,33)/t15-,20-,22-/m0/s1 PZXNEDCIDKOIEV-LVWPNOBMSA-N 242861 US9422332, 25 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242861 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242861&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73295055 341095000 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423671 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1ccccc1Cl InChI=1S/C24H29ClN4O3/c1-14(2)20(28-22(30)15(3)26-4)24(32)29-13-16-9-5-6-10-17(16)21(29)23(31)27-19-12-8-7-11-18(19)25/h5-12,14-15,20-21,26H,13H2,1-4H3,(H,27,31)(H,28,30)/t15-,20-,21-/m0/s1 GRROBYAGJCKXGO-JHVJFLLYSA-N 242840 US9422332, 26 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 6076 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242840&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73297150 341094979 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423672 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cccc2CCCCc12 InChI=1S/C28H36N4O3/c1-17(2)24(31-26(33)18(3)29-4)28(35)32-16-20-11-6-8-14-22(20)25(32)27(34)30-23-15-9-12-19-10-5-7-13-21(19)23/h6,8-9,11-12,14-15,17-18,24-25,29H,5,7,10,13,16H2,1-4H3,(H,30,34)(H,31,33)/t18-,24-,25-/m0/s1 NMRBTFZYRNGDEW-WDNCENIBSA-N 242841 US9422332, 27 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 14840 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242841 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242841&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73294743 341094980 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423673 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cccc2cccnc12 InChI=1S/C27H31N5O3/c1-16(2)22(31-25(33)17(3)28-4)27(35)32-15-19-9-5-6-12-20(19)24(32)26(34)30-21-13-7-10-18-11-8-14-29-23(18)21/h5-14,16-17,22,24,28H,15H2,1-4H3,(H,30,34)(H,31,33)/t17-,22-,24-/m0/s1 FIYCTXVMDAYJKR-OWSXEPHWSA-N 242842 US9422332, 28 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 27930 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242842 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242842&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73297152 341094981 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423674 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2C1C(=O)Nc1nccc2ccccc12 InChI=1S/C27H31N5O3/c1-16(2)22(30-25(33)17(3)28-4)27(35)32-15-19-10-6-7-11-20(19)23(32)26(34)31-24-21-12-8-5-9-18(21)13-14-29-24/h5-14,16-17,22-23,28H,15H2,1-4H3,(H,30,33)(H,29,31,34)/t17-,22-,23?/m0/s1 KPUZPIFZJIWBBD-QPTFRZOZSA-N 242849 US9422332, 29 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 16030 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242849 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242849&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73294724 341094988 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423675 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1cccc2n(C)ccc12 InChI=1S/C27H33N5O3/c1-16(2)23(30-25(33)17(3)28-4)27(35)32-15-18-9-6-7-10-19(18)24(32)26(34)29-21-11-8-12-22-20(21)13-14-31(22)5/h6-14,16-17,23-24,28H,15H2,1-5H3,(H,29,34)(H,30,33)/t17-,23-,24-/m0/s1 UPXIKBFAEMLHBX-DPSWKAHMSA-N 242843 US9422332, 30 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 9264 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242843 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242843&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73294726 341094982 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423676 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C25H30F2N4O3/c1-14(2)21(29-23(32)15(3)28-4)25(34)31-13-17-9-6-5-8-16(17)12-20(31)24(33)30-22-18(26)10-7-11-19(22)27/h5-11,14-15,20-21,28H,12-13H2,1-4H3,(H,29,32)(H,30,33)/t15-,20-,21-/m0/s1 ARPGUODPOBQTIF-JHVJFLLYSA-N 242872 US9422332, 31 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 13440 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242872 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242872&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73295229 341095011 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423677 CN[C@@H](C)C(=O)N[C@@H]([C@@H](C)OC)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C24H28F2N4O4/c1-13(27-3)22(31)28-19(14(2)34-4)24(33)30-12-15-8-5-6-9-16(15)21(30)23(32)29-20-17(25)10-7-11-18(20)26/h5-11,13-14,19,21,27H,12H2,1-4H3,(H,28,31)(H,29,32)/t13-,14+,19-,21-/m0/s1 SMBHIHDNUDHLPT-AAJFEFCHSA-N 242854 US9422332, 32 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 51740 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242854&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90070334 341094993 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423678 CN[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C23H26F2N4O4/c1-12(26-3)21(31)27-18(13(2)30)23(33)29-11-14-7-4-5-8-15(14)20(29)22(32)28-19-16(24)9-6-10-17(19)25/h4-10,12-13,18,20,26,30H,11H2,1-3H3,(H,27,31)(H,28,32)/t12-,13+,18-,20-/m0/s1 BMBPIAUFAXALLP-QLBVAGGCSA-N 242855 US9422332, 33 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242855&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73294730 341094994 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423679 CN[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C25H30F2N4O3/c1-14(2)12-20(29-23(32)15(3)28-4)25(34)31-13-16-8-5-6-9-17(16)22(31)24(33)30-21-18(26)10-7-11-19(21)27/h5-11,14-15,20,22,28H,12-13H2,1-4H3,(H,29,32)(H,30,33)/t15-,20-,22-/m0/s1 OHOQSMXCQQKXFR-LVWPNOBMSA-N 242857 US9422332, 35 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 33670 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242857&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73294732 341094996 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423680 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1c(Cl)cccc1Cl InChI=1S/C25H30Cl2N4O3/c1-14(2)20(29-23(32)15(3)28-4)25(34)31-13-12-16-8-5-6-9-17(16)22(31)24(33)30-21-18(26)10-7-11-19(21)27/h5-11,14-15,20,22,28H,12-13H2,1-4H3,(H,29,32)(H,30,33)/t15-,20-,22-/m0/s1 ZKKNQUVNTNADDY-LVWPNOBMSA-N 242865 US9422332, 36 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242865 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242865&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73295057 341095004 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423681 CN[C@@H](C)C(=O)N[C@@H](C1CCCC1)C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C27H32F2N4O3/c1-16(30-2)25(34)31-22(18-9-3-4-10-18)27(36)33-15-14-17-8-5-6-11-19(17)24(33)26(35)32-23-20(28)12-7-13-21(23)29/h5-8,11-13,16,18,22,24,30H,3-4,9-10,14-15H2,1-2H3,(H,31,34)(H,32,35)/t16-,22-,24-/m0/s1 BRPHOGJVARBKFY-DQLWACAZSA-N 242862 US9422332, 37 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242862 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242862&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73295404 341095001 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423682 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F)C(C)(C)C InChI=1S/C26H32F2N4O3/c1-15(29-5)23(33)31-22(26(2,3)4)25(35)32-14-13-16-9-6-7-10-17(16)21(32)24(34)30-20-18(27)11-8-12-19(20)28/h6-12,15,21-22,29H,13-14H2,1-5H3,(H,30,34)(H,31,33)/t15-,21-,22+/m0/s1 CQIGUCGAGPNYFD-UZQPLGKSSA-N 242863 US9422332, 38 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242863 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242863&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73295060 341095002 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423683 CN[C@@H](C)C(=O)N[C@@H]([C@@H](C)OC)C(=O)N1CCc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C25H30F2N4O4/c1-14(28-3)23(32)29-20(15(2)35-4)25(34)31-13-12-16-8-5-6-9-17(16)22(31)24(33)30-21-18(26)10-7-11-19(21)27/h5-11,14-15,20,22,28H,12-13H2,1-4H3,(H,29,32)(H,30,33)/t14-,15+,20-,22-/m0/s1 QGADRPOVIYDVNE-AUKWGBGVSA-N 242864 US9422332, 39 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242864 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242864&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73295228 341095003 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423684 CN[C@@H](C)C(=O)N[C@@H]([C@@H](C)c1ccccc1)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C29H30F2N4O3/c1-17(19-10-5-4-6-11-19)24(33-27(36)18(2)32-3)29(38)35-16-20-12-7-8-13-21(20)26(35)28(37)34-25-22(30)14-9-15-23(25)31/h4-15,17-18,24,26,32H,16H2,1-3H3,(H,33,36)(H,34,37)/t17-,18-,24-,26-/m0/s1 WBUURMCHXPBGHE-VHCMOQRASA-N 242858 US9422332, 40 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242858&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73294887 341094997 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423685 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccc(F)cc2[C@@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C25H29F3N4O3/c1-13(2)20(30-23(33)14(3)29-4)25(35)32-11-10-15-8-9-16(26)12-17(15)22(32)24(34)31-21-18(27)6-5-7-19(21)28/h5-9,12-14,20,22,29H,10-11H2,1-4H3,(H,30,33)(H,31,34)/t14-,20-,22+/m0/s1 RRQHSAJDWNSTCR-PRPYNDMISA-N 242869 US9422332, 41 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242869 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242869&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90070335 341095008 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423686 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccc(F)cc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C25H29F3N4O3/c1-13(2)20(30-23(33)14(3)29-4)25(35)32-11-10-15-8-9-16(26)12-17(15)22(32)24(34)31-21-18(27)6-5-7-19(21)28/h5-9,12-14,20,22,29H,10-11H2,1-4H3,(H,30,33)(H,31,34)/t14-,20-,22-/m0/s1 RRQHSAJDWNSTCR-FSJXIACGSA-N 242870 US9422332, 42 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242870 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242870&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90070337 341095009 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423687 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2cc(F)ccc2[C@@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C25H29F3N4O3/c1-13(2)20(30-23(33)14(3)29-4)25(35)32-11-10-15-12-16(26)8-9-17(15)22(32)24(34)31-21-18(27)6-5-7-19(21)28/h5-9,12-14,20,22,29H,10-11H2,1-4H3,(H,30,33)(H,31,34)/t14-,20-,22+/m0/s1 BWSRUACPTLNELP-PRPYNDMISA-N 242871 US9422332, 43 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242871 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242871&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90070354 341095010 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423688 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccc(Cl)cc2[C@@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C25H29ClF2N4O3/c1-13(2)20(30-23(33)14(3)29-4)25(35)32-11-10-15-8-9-16(26)12-17(15)22(32)24(34)31-21-18(27)6-5-7-19(21)28/h5-9,12-14,20,22,29H,10-11H2,1-4H3,(H,30,33)(H,31,34)/t14-,20-,22+/m0/s1 WGBUPYUICPSVDW-PRPYNDMISA-N 242866 US9422332, 44 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242866 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242866&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90070358 341095005 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423689 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2ccc(Cl)cc2[C@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C25H29ClF2N4O3/c1-13(2)20(30-23(33)14(3)29-4)25(35)32-11-10-15-8-9-16(26)12-17(15)22(32)24(34)31-21-18(27)6-5-7-19(21)28/h5-9,12-14,20,22,29H,10-11H2,1-4H3,(H,30,33)(H,31,34)/t14-,20-,22-/m0/s1 WGBUPYUICPSVDW-FSJXIACGSA-N 242867 US9422332, 45 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242867 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242867&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90070353 341095006 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423690 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCc2cc(Cl)ccc2[C@@H]1C(=O)Nc1c(F)cccc1F InChI=1S/C25H29ClF2N4O3/c1-13(2)20(30-23(33)14(3)29-4)25(35)32-11-10-15-12-16(26)8-9-17(15)22(32)24(34)31-21-18(27)6-5-7-19(21)28/h5-9,12-14,20,22,29H,10-11H2,1-4H3,(H,30,33)(H,31,34)/t14-,20-,22+/m0/s1 GAFFUNZAQFRLEV-PRPYNDMISA-N 242868 US9422332, 46 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242868 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242868&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 90070355 341095007 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 423691 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1Cc2ccccc2[C@H]1C(=O)Nc1c(C)cccc1F InChI=1S/C25H31FN4O3/c1-14(2)20(28-23(31)16(4)27-5)25(33)30-13-17-10-6-7-11-18(17)22(30)24(32)29-21-15(3)9-8-12-19(21)26/h6-12,14,16,20,22,27H,13H2,1-5H3,(H,28,31)(H,29,32)/t16-,20-,22-/m0/s1 DSXLSZKLOAGXRS-BUKVSMQUSA-N 242844 US9422332, 47 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens >54800 7.5 37.00 C US Patent 10.7270/Q23F4NJK aid1803318 US9422332 Hogg, JH; Le, K; Lou, Y; Mischke, SG; Remiszewski, S Hoffmann-La Roche Inc http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=242844 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=242844&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 73294889 341094983 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434739 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCCc2ccccc12 InChI=1S/C66H81N9O8/c1-40(67-6)59(76)72-55(64(81)74-37-48-19-9-8-18-47(48)35-56(74)62(79)70-53-24-14-20-44-16-10-12-22-51(44)53)34-42-28-32-50(33-29-42)83-39-43-26-30-46(31-27-43)61(78)69-49-36-57(63(80)71-54-25-15-21-45-17-11-13-23-52(45)54)75(38-49)65(82)58(66(3,4)5)73-60(77)41(2)68-7/h8-13,16-19,22-23,26-33,40-41,49,53-58,67-68H,14-15,20-21,24-25,34-39H2,1-7H3,(H,69,78)(H,70,79)(H,71,80)(H,72,76)(H,73,77)/t40-,41-,49-,53?,54?,55-,56-,57-,58+/m0/s1 ZHTVSVKDYKAOKU-UEXYXWOPSA-N 249160 US9453048, 1 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.14 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249160 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249160&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635721 346543668 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434740 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CCCC1C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-50(59(76)69-32-14-23-51(69)57(74)65-48-21-12-17-41-15-8-10-19-46(41)48)33-39-26-30-45(31-27-39)78-36-40-24-28-43(29-25-40)56(73)64-44-34-52(58(75)66-49-22-13-18-42-16-9-11-20-47(42)49)70(35-44)60(77)53(61(3,4)5)68-55(72)38(2)63-7/h8-11,15-16,19-20,24-31,37-38,44,48-53,62-63H,12-14,17-18,21-23,32-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44?,48+,49?,50-,51?,52-,53+/m0/s1 GOHJXSANROHRRJ-PPXCOOFNSA-N 249161 US9453048, 2 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.06 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249161 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249161&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635722 346543669 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434741 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CCCCC1C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C62H81N9O8/c1-38(63-6)55(72)68-51(60(77)70-33-13-12-24-52(70)58(75)66-49-22-14-18-42-16-8-10-20-47(42)49)34-40-27-31-46(32-28-40)79-37-41-25-29-44(30-26-41)57(74)65-45-35-53(59(76)67-50-23-15-19-43-17-9-11-21-48(43)50)71(36-45)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h8-11,16-17,20-21,25-32,38-39,45,49-54,63-64H,12-15,18-19,22-24,33-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45?,49+,50?,51-,52?,53-,54+/m0/s1 NVGMOAJZXINBNS-RKDFGVOUSA-N 249162 US9453048, 3 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.08 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249162 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249162&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635723 346543670 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434742 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1CC=CCC1C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C62H79N9O8/c1-38(63-6)55(72)68-51(60(77)70-33-13-12-24-52(70)58(75)66-49-22-14-18-42-16-8-10-20-47(42)49)34-40-27-31-46(32-28-40)79-37-41-25-29-44(30-26-41)57(74)65-45-35-53(59(76)67-50-23-15-19-43-17-9-11-21-48(43)50)71(36-45)61(78)54(62(3,4)5)69-56(73)39(2)64-7/h8-13,16-17,20-21,25-32,38-39,45,49-54,63-64H,14-15,18-19,22-24,33-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45?,49+,50?,51-,52?,53-,54+/m0/s1 OCXMUZCIKTZSBR-RKDFGVOUSA-N 249163 US9453048, 4 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.06 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249163&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635724 346543671 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434743 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OCc2ccc(C(=O)NC3C[C@H](N(C3)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC3CCCc4ccccc34)c(F)c2)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C66H80FN9O8/c1-39(68-6)59(77)73-55(64(82)75-36-46-19-9-8-18-45(46)34-56(75)62(80)71-53-24-14-20-43-16-10-12-22-49(43)53)33-41-26-29-48(30-27-41)84-38-42-28-31-51(52(67)32-42)61(79)70-47-35-57(63(81)72-54-25-15-21-44-17-11-13-23-50(44)54)76(37-47)65(83)58(66(3,4)5)74-60(78)40(2)69-7/h8-13,16-19,22-23,26-32,39-40,47,53-58,68-69H,14-15,20-21,24-25,33-38H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t39-,40-,47?,53+,54?,55-,56?,57-,58+/m0/s1 YABVBGJSJAOFOT-IBVOZTSHSA-N 249164 US9453048, 5 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.16 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249164&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635725 346543672 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434744 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(Oc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C65H79N9O8/c1-39(66-6)58(75)71-54(63(80)73-37-46-19-9-8-18-45(46)35-55(73)61(78)69-52-24-14-20-42-16-10-12-22-50(42)52)34-41-26-30-48(31-27-41)82-49-32-28-44(29-33-49)60(77)68-47-36-56(62(79)70-53-25-15-21-43-17-11-13-23-51(43)53)74(38-47)64(81)57(65(3,4)5)72-59(76)40(2)67-7/h8-13,16-19,22-23,26-33,39-40,47,52-57,66-67H,14-15,20-21,24-25,34-38H2,1-7H3,(H,68,77)(H,69,78)(H,70,79)(H,71,75)(H,72,76)/t39-,40-,47?,52+,53?,54-,55?,56-,57+/m0/s1 ICBNAJNGBQSYKR-JOGHRLMDSA-N 249165 US9453048, 6 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.14 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249165&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635726 346543673 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434745 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(NCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C66H82N10O7/c1-40(67-6)59(77)73-55(64(82)75-38-48-19-9-8-18-47(48)35-56(75)62(80)71-53-24-14-20-44-16-10-12-22-51(44)53)34-42-28-32-49(33-29-42)69-37-43-26-30-46(31-27-43)61(79)70-50-36-57(63(81)72-54-25-15-21-45-17-11-13-23-52(45)54)76(39-50)65(83)58(66(3,4)5)74-60(78)41(2)68-7/h8-13,16-19,22-23,26-33,40-41,50,53-58,67-69H,14-15,20-21,24-25,34-39H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t40-,41-,50?,53+,54?,55-,56?,57-,58+/m0/s1 ZQGQESOASZCZRS-BRUXDLPLSA-N 249166 US9453048, 7 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.14 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249166&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635727 346543674 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434746 CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)C1CC=CC[C@H]1C(=O)NC1CCCc2ccccc12 InChI=1S/C63H80N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-13,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,14-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50+,51?,52?,53?,54-,56+/m0/s1 MJRNRPHNOVZJQB-KXXBVNELSA-N 249167 US9453048, 9 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.06 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249167 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249167&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635728 346543675 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434747 CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CC=CC[C@@H]1C(=O)NC1CCCc2ccccc12 InChI=1S/C63H80N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-13,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,14-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/m0/s1 MJRNRPHNOVZJQB-YSMPXDCXSA-N 249168 US9453048, 10 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.13 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249168&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635729 346543676 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434748 CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CCCC[C@@H]1C(=O)NC1CCCc2ccccc12 InChI=1S/C63H82N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-11,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,12-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/m0/s1 ZGWHKKCFHWPWTG-YSMPXDCXSA-N 249169 US9453048, 11::US9453048, 12 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.25 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249169&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635730 346543677 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434749 CN[C@@H](C)C(=O)NC(Cc1ccc(OCc2ccc(cc2)C(=O)N[C@H]2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)C1CCCC[C@@H]1C(=O)NC1CCCc2ccccc12 InChI=1S/C63H82N8O8/c1-38(64-6)57(73)69-53(55(72)49-22-12-13-23-50(49)60(76)67-51-24-14-18-42-16-8-10-20-47(42)51)34-40-28-32-46(33-29-40)79-37-41-26-30-44(31-27-41)59(75)66-45-35-54(61(77)68-52-25-15-19-43-17-9-11-21-48(43)52)71(36-45)62(78)56(63(3,4)5)70-58(74)39(2)65-7/h8-11,16-17,20-21,26-33,38-39,45,49-54,56,64-65H,12-15,18-19,22-25,34-37H2,1-7H3,(H,66,75)(H,67,76)(H,68,77)(H,69,73)(H,70,74)/t38-,39-,45-,49?,50-,51?,52+,53?,54?,56+/m0/s1 ZGWHKKCFHWPWTG-YSMPXDCXSA-N 249169 US9453048, 11::US9453048, 12 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.06 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249169&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635730 346543677 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434750 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48+,49?,50?,51+,52?,53+/m0/s1 PCTAIOPAYXJDHB-LJIOIBTLSA-N 249171 US9453048, 13::US9453048, 15 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.15 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249171&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635731 346543678 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434751 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48-,49?,50?,51+,52?,53+/m0/s1 PCTAIOPAYXJDHB-CVLHRNLYSA-N 249172 US9453048, 14 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.08 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249172 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249172&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635732 346543679 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434752 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)C3CCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C InChI=1S/C61H79N9O8/c1-37(62-6)54(71)67-53(61(3,4)5)60(77)69-35-44(33-52(69)58(75)66-51-24-13-18-42-16-9-11-20-47(42)51)64-56(73)43-29-25-40(26-30-43)36-78-45-31-27-39(28-32-45)34-70(68-55(72)38(2)63-7)59(76)49-22-14-21-48(49)57(74)65-50-23-12-17-41-15-8-10-19-46(41)50/h8-11,15-16,19-20,25-32,37-38,44,48-53,62-63H,12-14,17-18,21-24,33-36H2,1-7H3,(H,64,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t37-,38-,44-,48+,49?,50?,51+,52?,53+/m0/s1 PCTAIOPAYXJDHB-LJIOIBTLSA-N 249171 US9453048, 13::US9453048, 15 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.23 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249171 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249171&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635731 346543678 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434753 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)[C@H]3CCCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C InChI=1S/C62H81N9O8/c1-38(63-6)55(72)68-54(62(3,4)5)61(78)70-36-45(34-53(70)59(76)67-52-25-15-19-43-17-9-11-21-48(43)52)65-57(74)44-30-26-41(27-31-44)37-79-46-32-28-40(29-33-46)35-71(69-56(73)39(2)64-7)60(77)50-23-13-12-22-49(50)58(75)66-51-24-14-18-42-16-8-10-20-47(42)51/h8-11,16-17,20-21,26-33,38-39,45,49-54,63-64H,12-15,18-19,22-25,34-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45-,49+,50-,51?,52+,53?,54+/m0/s1 ZNXRDQOMLFCSOT-FLNWYVDMSA-N 249174 US9453048, 16 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.07 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249174 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249174&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635733 346543680 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434754 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](CC1C(=O)N[C@@H]1CCCc2ccccc12)NC(=O)c1ccc(COc2ccc(CN(NC(=O)[C@H](C)NC)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC3CCCc4ccccc34)cc2)cc1)C(C)(C)C InChI=1S/C62H81N9O8/c1-38(63-6)55(72)68-54(62(3,4)5)61(78)70-36-45(34-53(70)59(76)67-52-25-15-19-43-17-9-11-21-48(43)52)65-57(74)44-30-26-41(27-31-44)37-79-46-32-28-40(29-33-46)35-71(69-56(73)39(2)64-7)60(77)50-23-13-12-22-49(50)58(75)66-51-24-14-18-42-16-8-10-20-47(42)51/h8-11,16-17,20-21,26-33,38-39,45,49-54,63-64H,12-15,18-19,22-25,34-37H2,1-7H3,(H,65,74)(H,66,75)(H,67,76)(H,68,72)(H,69,73)/t38-,39-,45-,49+,50+,51?,52+,53?,54+/m0/s1 ZNXRDQOMLFCSOT-PQRBCLMOSA-N 249175 US9453048, 17 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.27 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249175 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249175&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635734 346543681 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434755 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)C1CCCc2ccccc12 InChI=1S/C68H85N9O7/c1-42(69-6)61(78)73-56(65(82)76-40-51-20-10-9-19-50(51)38-59(76)66(83)75(8)57-26-16-22-48-18-12-14-24-54(48)57)37-46-31-29-44(30-32-46)27-28-45-33-35-49(36-34-45)63(80)71-52-39-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)77(41-52)67(84)60(68(3,4)5)74-62(79)43(2)70-7/h9-14,17-20,23-24,29-36,42-43,52,55-60,69-70H,15-16,21-22,25-28,37-41H2,1-8H3,(H,71,80)(H,72,81)(H,73,78)(H,74,79)/t42-,43-,52?,55?,56-,57?,58-,59-,60+/m0/s1 XAZVUSKLJAYKSQ-BTBHBTNASA-N 249176 US9453048, 18 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.22 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249176 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249176&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635735 346543682 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434756 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CCc2ccc(cc2)C(=O)NC2C[C@H](N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)NC2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CCCc2ccccc12 InChI=1S/C67H83N9O7/c1-41(68-6)60(77)73-56(65(82)75-39-50-19-9-8-18-49(50)37-57(75)63(80)71-54-24-14-20-46-16-10-12-22-52(46)54)36-45-30-28-43(29-31-45)26-27-44-32-34-48(35-33-44)62(79)70-51-38-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)76(40-51)66(83)59(67(3,4)5)74-61(78)42(2)69-7/h8-13,16-19,22-23,28-35,41-42,51,54-59,68-69H,14-15,20-21,24-27,36-40H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/t41-,42-,51?,54?,55?,56-,57-,58-,59+/m0/s1 YQQYAIDWSCFDCF-XYYSOBHESA-N 249177 US9453048, 19 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.21 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249177 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249177&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635736 346543683 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 434757 CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(\C=C\c2ccc(cc2)C(=O)NC2CC(N(C2)C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C(=O)N[C@@H]2CCCc3ccccc23)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C67H81N9O7/c1-41(68-6)60(77)73-56(65(82)75-39-50-19-9-8-18-49(50)37-57(75)63(80)71-54-24-14-20-46-16-10-12-22-52(46)54)36-45-30-28-43(29-31-45)26-27-44-32-34-48(35-33-44)62(79)70-51-38-58(64(81)72-55-25-15-21-47-17-11-13-23-53(47)55)76(40-51)66(83)59(67(3,4)5)74-61(78)42(2)69-7/h8-13,16-19,22-23,26-35,41-42,51,54-59,68-69H,14-15,20-21,24-25,36-40H2,1-7H3,(H,70,79)(H,71,80)(H,72,81)(H,73,77)(H,74,78)/b27-26+/t41-,42-,51?,54+,55+,56-,57?,58?,59+/m0/s1 YDZYKOLIKMVENZ-DKKVXTMGSA-N 249178 US9453048, 20 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 0.18 25.00 C US Patent 10.7270/Q2057DV5 aid1803454 US9453048 Borzilleri, RM; Perez, HL; Wei, DD; Kim, KS Bristol-Myers Squibb Co. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=249178 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=249178&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 131635737 346543684 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 441805 CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 InChI=1S/C35H31N7O2/c1-21-15-18-42-31(19-21)41-32(28-7-6-16-38-35(28)44-5)33(42)27-11-13-30(40-34(43)23(3)36-4)39-29(27)12-9-24-8-10-26-22(2)37-17-14-25(26)20-24/h6-8,10-11,13-20,23,36H,1-5H3,(H,39,40,43)/t23-/m0/s1 XPQTUUJPXMXNET-QHCPKHFHSA-N 253991 US9481673, (S)-1 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 207 25.00 C US Patent 10.7270/Q24M93G0 aid1803539 US9481673 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=253991 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=253991&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118863018 346548323 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 441806 CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnn(C)c2)c(n1)C#Cc1ccc2c(C)nccc2c1 InChI=1S/C33H30N8O/c1-20-13-15-41-30(16-20)39-31(25-18-36-40(5)19-25)32(41)27-9-11-29(38-33(42)22(3)34-4)37-28(27)10-7-23-6-8-26-21(2)35-14-12-24(26)17-23/h6,8-9,11-19,22,34H,1-5H3,(H,37,38,42)/t22-/m0/s1 GKUKREOTCLQGRX-QFIPXVFZSA-N 253993 US9481673, (S)-3 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 252 25.00 C US Patent 10.7270/Q24M93G0 aid1803539 US9481673 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=253993 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=253993&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118863027 346548325 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 441807 CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cncn2C)c(n1)C#Cc1ccc2c(C)nccc2c1 InChI=1S/C33H30N8O/c1-20-13-15-41-30(16-20)39-31(28-18-35-19-40(28)5)32(41)26-9-11-29(38-33(42)22(3)34-4)37-27(26)10-7-23-6-8-25-21(2)36-14-12-24(25)17-23/h6,8-9,11-19,22,34H,1-5H3,(H,37,38,42)/t22-/m0/s1 MKBRPDBPQLDLIT-QFIPXVFZSA-N 253994 US9481673, (S)-4 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 303 25.00 C US Patent 10.7270/Q24M93G0 aid1803539 US9481673 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=253994 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=253994&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118863034 346548326 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 441808 CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2C)c(n1)C#Cc1ccc2c(C)nccc2c1 InChI=1S/C35H31N7O/c1-21-15-18-42-32(19-21)41-33(28-7-6-16-37-23(28)3)34(42)29-11-13-31(40-35(43)24(4)36-5)39-30(29)12-9-25-8-10-27-22(2)38-17-14-26(27)20-25/h6-8,10-11,13-20,24,36H,1-5H3,(H,39,40,43)/t24-/m0/s1 PWGNJALKXKCHCQ-DEOSSOPVSA-N 253995 US9481673, (S)-5 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 677 25.00 C US Patent 10.7270/Q24M93G0 aid1803539 US9481673 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=253995 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=253995&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118863042 346548327 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 441809 CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccc(C)nc2)c(n1)C#Cc1ccc2c(C)nccc2c1 InChI=1S/C35H31N7O/c1-21-15-17-42-32(18-21)41-33(27-9-6-22(2)38-20-27)34(42)29-11-13-31(40-35(43)24(4)36-5)39-30(29)12-8-25-7-10-28-23(3)37-16-14-26(28)19-25/h6-7,9-11,13-20,24,36H,1-5H3,(H,39,40,43)/t24-/m0/s1 ROMCJEPRVBSBEK-DEOSSOPVSA-N 253996 US9481673, (S)-6 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 108 25.00 C US Patent 10.7270/Q24M93G0 aid1803539 US9481673 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=253996 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=253996&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118862989 346548328 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 441810 CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnc(C)nc2)c(n1)C#Cc1ccc2c(C)nccc2c1 InChI=1S/C34H30N8O/c1-20-13-15-42-31(16-20)41-32(26-18-37-23(4)38-19-26)33(42)28-9-11-30(40-34(43)22(3)35-5)39-29(28)10-7-24-6-8-27-21(2)36-14-12-25(27)17-24/h6,8-9,11-19,22,35H,1-5H3,(H,39,40,43)/t22-/m0/s1 OOOHUPBTSUEVGE-QFIPXVFZSA-N 253997 US9481673, (S)-7 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 124 25.00 C US Patent 10.7270/Q24M93G0 aid1803539 US9481673 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=253997 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=253997&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118862998 346548329 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 441811 CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(OC)c2)c(n1)C#Cc1ccc2c(C)nccc2c1 InChI=1S/C35H31N7O2/c1-21-14-17-42-31(18-21)41-33(26-13-16-38-32(20-26)44-5)34(42)28-9-11-30(40-35(43)23(3)36-4)39-29(28)10-7-24-6-8-27-22(2)37-15-12-25(27)19-24/h6,8-9,11-20,23,36H,1-5H3,(H,39,40,43)/t23-/m0/s1 DOCWUWPIDUHYPB-QHCPKHFHSA-N 253998 US9481673, (S)-8 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 147 25.00 C US Patent 10.7270/Q24M93G0 aid1803539 US9481673 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=253998 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=253998&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118863030 346548330 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 441812 CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccc(OC)nc2)c(n1)C#Cc1ccc2c(C)nccc2c1 InChI=1S/C35H31N7O2/c1-21-15-17-42-31(18-21)41-33(26-8-13-32(44-5)38-20-26)34(42)28-10-12-30(40-35(43)23(3)36-4)39-29(28)11-7-24-6-9-27-22(2)37-16-14-25(27)19-24/h6,8-10,12-20,23,36H,1-5H3,(H,39,40,43)/t23-/m0/s1 WCEKPSGXNVKDPR-QHCPKHFHSA-N 253999 US9481673, (S)-9 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 267 25.00 C US Patent 10.7270/Q24M93G0 aid1803539 US9481673 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=253999 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=253999&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118863000 346548331 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 441813 CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 InChI=1S/C35H31N7O3/c1-21-16-18-42-30(19-21)40-32(26-7-6-17-37-35(26)45-5)33(42)25-11-14-29(39-34(44)22(2)36-3)38-27(25)12-8-23-9-13-28-24(20-23)10-15-31(43)41(28)4/h6-7,9-11,13-20,22,36H,1-5H3,(H,38,39,44)/t22-/m0/s1 BLCOQEHXRZDQMH-QFIPXVFZSA-N 254000 US9481673, (S)-10 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 260 25.00 C US Patent 10.7270/Q24M93G0 aid1803539 US9481673 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=254000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=254000&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118863014 346548332 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 441814 CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(C)c2)c(n1)C#Cc1ccccc1 InChI=1S/C31H28N6O/c1-20-15-17-37-28(18-20)36-29(24-14-16-33-21(2)19-24)30(37)25-11-13-27(35-31(38)22(3)32-4)34-26(25)12-10-23-8-6-5-7-9-23/h5-9,11,13-19,22,32H,1-4H3,(H,34,35,38)/t22-/m0/s1 RVXKLPGEBCDTMK-QFIPXVFZSA-N 254001 US9481673, (S)-11 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 13 25.00 C US Patent 10.7270/Q24M93G0 aid1803539 US9481673 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=254001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=254001&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118863016 346548333 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 441815 CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnc(C)nc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 InChI=1S/C34H30N8O2/c1-20-14-15-42-30(16-20)40-32(25-18-36-22(3)37-19-25)33(42)26-9-12-29(39-34(44)21(2)35-4)38-27(26)10-6-23-7-11-28-24(17-23)8-13-31(43)41(28)5/h7-9,11-19,21,35H,1-5H3,(H,38,39,44)/t21-/m0/s1 KNODPLACRRUGBI-NRFANRHFSA-N 254002 US9481673, (S)-12 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 333 25.00 C US Patent 10.7270/Q24M93G0 aid1803539 US9481673 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=254002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=254002&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118862996 346548334 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 441816 CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccnc(OC)c2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 InChI=1S/C35H31N7O3/c1-21-15-17-42-30(18-21)40-33(25-14-16-37-31(20-25)45-5)34(42)26-9-12-29(39-35(44)22(2)36-3)38-27(26)10-6-23-7-11-28-24(19-23)8-13-32(43)41(28)4/h7-9,11-20,22,36H,1-5H3,(H,38,39,44)/t22-/m0/s1 JQQZFPQLXLLQNN-QFIPXVFZSA-N 254003 US9481673, (S)-13 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 219 25.00 C US Patent 10.7270/Q24M93G0 aid1803539 US9481673 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=254003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=254003&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118863002 346548335 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 441817 CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccc(OC)nc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 InChI=1S/C35H31N7O3/c1-21-16-17-42-30(18-21)40-33(25-8-14-31(45-5)37-20-25)34(42)26-10-13-29(39-35(44)22(2)36-3)38-27(26)11-6-23-7-12-28-24(19-23)9-15-32(43)41(28)4/h7-10,12-20,22,36H,1-5H3,(H,38,39,44)/t22-/m0/s1 MUGPHODVYMCYLU-QFIPXVFZSA-N 254004 US9481673, (S)-14 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 1269 25.00 C US Patent 10.7270/Q24M93G0 aid1803539 US9481673 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=254004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=254004&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118863011 346548336 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 441818 CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(Cl)ccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 InChI=1S/C34H28ClN7O2/c1-20-25-9-7-22(18-23(25)13-16-37-20)8-11-28-26(10-12-29(39-28)40-33(43)21(2)36-3)32-31(27-6-5-15-38-34(27)44-4)41-30-19-24(35)14-17-42(30)32/h5-7,9-10,12-19,21,36H,1-4H3,(H,39,40,43)/t21-/m0/s1 KUALBBKNPXFGDB-NRFANRHFSA-N 254005 US9481673, (S)-15 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 175 25.00 C US Patent 10.7270/Q24M93G0 aid1803539 US9481673 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=254005 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=254005&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118863012 346548337 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 441819 CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3ccccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 InChI=1S/C34H29N7O2/c1-21-25-12-10-23(20-24(25)16-18-36-21)11-14-28-26(13-15-29(38-28)39-33(42)22(2)35-3)32-31(27-8-7-17-37-34(27)43-4)40-30-9-5-6-19-41(30)32/h5-10,12-13,15-20,22,35H,1-4H3,(H,38,39,42)/t22-/m0/s1 OOIACXVWWQFCNE-QFIPXVFZSA-N 254006 US9481673, (S)-16 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 304 25.00 C US Patent 10.7270/Q24M93G0 aid1803539 US9481673 Reiser, U Boehringer Ingelheim International GmbH http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=254006 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=254006&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 118862995 346548338 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851672 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C 422059 US10508103, Embodiment 1 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422059&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132077976 434147918 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851675 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C 422060 US10508103, Embodiment 2 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422060&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132078150 434147919 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851678 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@H](CC)NC(=O)[C@H](C)NC 422061 US10508103, Embodiment 13 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422061&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 138622494 434147920 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851681 CN[C@@H](C)C(=O)N[C@@H](C1CC1)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CC1 422062 US10508103, Embodiment 14 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422062&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132078096 434147921 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851684 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C 422063 US10508103, Embodiment 16 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422063&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 138622493 434147922 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851687 CN[C@@H](C)C(=O)N[C@@H](C1CCC1)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCC1 422064 US10508103, Embodiment 17 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens <10.00 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422064&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132078059 434147923 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851690 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C 422065 US10508103, Embodiment 18 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422065&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132077957 434147924 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851693 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C 422066 US10508103, Embodiment 19 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422066&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 138622401 434147925 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851696 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 422067 US10508103, Embodiment 20 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422067&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132078015 434147926 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851699 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CC1 422068 US10508103, Embodiment 21 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422068&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132078014 434147927 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851702 CN[C@@H](C)C(=O)N[C@@H](C1CC1)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(nc2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C 422069 US10508103, Embodiment 22 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422069&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132078167 434147928 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851705 CN[C@@H](C)C(=O)N[C@@H](C1CC1)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(nc2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 422070 US10508103, Embodiment 23 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422070&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 138622405 434147929 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851708 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(nc2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C 422071 US10508103, Embodiment 24 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422071&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 138622402 434147930 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851711 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(nc2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CC1 422072 US10508103, Embodiment 25 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422072&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132077975 434147931 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851714 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(nc2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C 422073 US10508103, Embodiment 26 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens <10.00 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422073&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132077942 434147932 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851717 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(nc2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 422074 US10508103, Embodiment 27 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens <10.00 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422074&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132078018 434147933 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851720 CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(nc2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CC1 422075 US10508103, Embodiment 28 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens <10.00 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422075&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132078061 434147934 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851723 CN[C@@H](C)C(=O)N[C@@H](C1CC1)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C 422076 US10508103, Embodiment 29 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422076&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132077943 434147935 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851726 CN[C@@H](C)C(=O)N[C@@H](C1CC1)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 422077 US10508103, Embodiment 30 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422077&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132078076 434147936 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851729 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CC1 422078 US10508103, Embodiment 31 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422078&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132077962 434147937 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851732 CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C 422079 US10508103, Embodiment 32 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422079&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132078172 434147938 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851735 CCC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(nc2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 422080 US10508103, Embodiment 36 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422080&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132077967 434147939 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851738 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C 422081 US10508103, Embodiment 38 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens <10.00 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422081&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132078025 434147940 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851741 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C 422082 US10508103, Embodiment 39 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens <10.00 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422082&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132078151 434147941 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851744 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C 422083 US10508103, Embodiment 40 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422083&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 138622484 434147942 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851747 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1Cn1c(nc2cc(F)ccc12)-c1[nH]c2cc(F)ccc2c1C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C 422084 US10508103, Embodiment 42 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens <10.00 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422084&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132078009 434147943 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851750 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CC(F)(F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1CC(F)(F)CN1C(=O)[C@H](CC)NC(=O)[C@H](C)NC 422085 US10508103, Embodiment 43 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422085&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132078176 434147944 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851753 CN[C@@H](C)C(=O)N[C@@H](C1CC1)C(=O)N1CC(F)(F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1CC(F)(F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CC1 422086 US10508103, Embodiment 44 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens <10.00 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422086&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132078027 434147945 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 851756 CC[C@H](NC(=O)[C@H](C)NC)C(=O)N1CC(F)(F)C[C@H]1Cc1c([nH]c2cc(F)ccc12)-c1nc2cc(F)ccc2n1C[C@@H]1CC(F)(F)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C 422087 US10508103, Embodiment 46 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55.0 US Patent 10.7270/Q25141MH aid1804020 US10508103 Sun, F; Ding, CZ; Cai, Z; Qian, W; Hu, G; Li, J; Chen, S MEDSHINE DISCOVERY INC. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=422087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=422087&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 132078177 434147946 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 1324092 CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC(C)(C)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C25H36N4O3S/c1-15(26-4)22(30)28-19-12-13-33-20-14-25(2,3)21(29(20)24(19)32)23(31)27-18-11-7-9-16-8-5-6-10-17(16)18/h5-6,8,10,15,18-21,26H,7,9,11-14H2,1-4H3,(H,27,31)(H,28,30)/t15-,18+,19-,20-,21?/m0/s1 IIXXVAXNYFQXST-DUDGCXMLSA-N 391840 US10300074, Compd 35::US20230295181, Compound A E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55 US Patent 10.7270/Q2X352MT US20230295181 COSFORD, ND; HEIMANN, D; TERIETE, P; CHANDA, SK; PACHE, L; DE BACKER, LJ; BATA, N Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=391840 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=391840&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 74538665 404960196 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 1324093 CCC1(CC)C[C@@H]2SCC[C@H](NC(=O)[C@H](C)NC)C(=O)N2[C@@H]1C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C27H40N4O3S/c1-5-27(6-2)16-22-31(26(34)21(14-15-35-22)30-24(32)17(3)28-4)23(27)25(33)29-20-13-9-11-18-10-7-8-12-19(18)20/h7-8,10,12,17,20-23,28H,5-6,9,11,13-16H2,1-4H3,(H,29,33)(H,30,32)/t17-,20+,21-,22-,23+/m0/s1 YCUILHYJHGZEQN-MPQLGERFSA-N 620148 US20230295181, Compound 38 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 66 US Patent 10.7270/Q2X352MT US20230295181 COSFORD, ND; HEIMANN, D; TERIETE, P; CHANDA, SK; PACHE, L; DE BACKER, LJ; BATA, N Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=620148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=620148&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 157035367 485227419 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 1324094 CN[C@@H](C)C(=O)N[C@H]1C2CCCCC2O[C@H]2CC(C)(C)[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C29H42N4O4/c1-17(30-4)26(34)32-24-20-13-7-8-15-22(20)37-23-16-29(2,3)25(33(23)28(24)36)27(35)31-21-14-9-11-18-10-5-6-12-19(18)21/h5-6,10,12,17,20-25,30H,7-9,11,13-16H2,1-4H3,(H,31,35)(H,32,34)/t17-,20?,21+,22?,23-,24-,25+/m0/s1 ZHBDFVCWGJVRKP-ZFFKMFFISA-N 620153 US20230295181, Compound 65 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55 US Patent 10.7270/Q2X352MT US20230295181 COSFORD, ND; HEIMANN, D; TERIETE, P; CHANDA, SK; PACHE, L; DE BACKER, LJ; BATA, N Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=620153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=620153&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 157035234 485227424 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 1324095 CN[C@@H](C)C(=O)N[C@H]1CCS[C@H]2CC3(CCCC3)[C@H](N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C27H38N4O3S/c1-17(28-2)24(32)30-21-12-15-35-22-16-27(13-5-6-14-27)23(31(22)26(21)34)25(33)29-20-11-7-9-18-8-3-4-10-19(18)20/h3-4,8,10,17,20-23,28H,5-7,9,11-16H2,1-2H3,(H,29,33)(H,30,32)/t17-,20+,21-,22-,23+/m0/s1 BVHJPUBVACYZJR-MPQLGERFSA-N 620165 US20230295181, Compound 80 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55 US Patent 10.7270/Q2X352MT US20230295181 COSFORD, ND; HEIMANN, D; TERIETE, P; CHANDA, SK; PACHE, L; DE BACKER, LJ; BATA, N Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=620165 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=620165&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 169057981 485227436 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 1324096 CN[C@@H](C)C(=O)N[C@H]1CCOC2CC3(CC=CC3)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C27H36N4O4/c1-17(28-2)24(32)30-21-12-15-35-22-16-27(13-5-6-14-27)23(31(22)26(21)34)25(33)29-20-11-7-9-18-8-3-4-10-19(18)20/h3-6,8,10,17,20-23,28H,7,9,11-16H2,1-2H3,(H,29,33)(H,30,32)/t17-,20+,21-,22?,23?/m0/s1 RSJCHSVTXILJJN-OAPLPFNWSA-N 620168 US20230295181, Compound 81 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55 US Patent 10.7270/Q2X352MT US20230295181 COSFORD, ND; HEIMANN, D; TERIETE, P; CHANDA, SK; PACHE, L; DE BACKER, LJ; BATA, N Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=620168 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=620168&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 129903790 485227439 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14 1324097 CN[C@@H](C)C(=O)N[C@H]1CCOC2CC3(CCCC3)C(N2C1=O)C(=O)N[C@@H]1CCCc2ccccc12 InChI=1S/C27H38N4O4/c1-17(28-2)24(32)30-21-12-15-35-22-16-27(13-5-6-14-27)23(31(22)26(21)34)25(33)29-20-11-7-9-18-8-3-4-10-19(18)20/h3-4,8,10,17,20-23,28H,5-7,9,11-16H2,1-2H3,(H,29,33)(H,30,32)/t17-,20+,21-,22?,23?/m0/s1 OXRCNGFIXLNXEZ-OAPLPFNWSA-N 620169 US20230295181, Compound 82 E3 ubiquitin-protein ligase XIAP [241-356] Homo sapiens 55 US Patent 10.7270/Q2X352MT US20230295181 COSFORD, ND; HEIMANN, D; TERIETE, P; CHANDA, SK; PACHE, L; DE BACKER, LJ; BATA, N Sanford Burnham Prebys Medical Discovery Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=620169 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2972&target=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=620169&enzyme=E3+ubiquitin-protein+ligase+XIAP+%5B241-356%5D&column=ki&startPg=0&Increment=50&submit=Search 129903791 485227440 1 SDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTT 1F9X,1G3F,1G73,1NW9,1TFQ,1TFT,2JK7,2OPY,2OPZ,2VSL,3CLX,3CM2,3CM7,3EYL,3G76,4EC4,4HY0,6EY2,8GH7 E3 ubiquitin-protein ligase XIAP XIAP_HUMAN P98170 D3DTF2 Q9NQ14