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 50440114 CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 InChI=1S/C19H26N4O3/c1-2-3-7-14(12-22(26)13-24)19(25)23-11-6-10-17(23)18-20-15-8-4-5-9-16(15)21-18/h4-5,8-9,13-14,17,26H,2-3,6-7,10-12H2,1H3,(H,20,21)/t14-,17+/m1/s1 UAMIOXFYSOXLHT-PBHICJAKSA-N 50255000 CHEMBL443904::N-((R)-2-((S)-2-(1H-benzo[d]imidazol-2-yl)pyrrolidine-1-carbonyl)hexyl)-N-hydroxyformamide Peptide deformylase Mycobacterium tuberculosis 10 ChEMBL 10.1016/j.bmcl.2008.10.040 10.7270/Q2VX0GCD 19008098 Pichota, A; Duraiswamy, J; Yin, Z; Keller, TH; Alam, J; Liung, S; Lee, G; Ding, M; Wang, G; Chan, WL; Schreiber, M; Ma, I; Beer, D; Ngew, X; Mukherjee, K; Nanjundappa, M; Teo, JW; Thayalan, P; Yap, A; Dick, T; Meng, W; Xu, M; Koehn, J; Pan, SH; Clark, K; Xie, X; Shoen, C; Cynamon, M Novartis Institute for Tropical Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255000 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004284&target=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255000&enzyme=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search 16220165 104107069 CHEMBL443904 ZINC40828001 1 MAVVPIRIVGDPVLHTATTPVTVAADGSLPADLAQLIATMYDTMDAANGVGLAANQIGCSLRLFVYDCAADRAMTARRRGVVINPVLETSEIPETMPDPDTDDEGCLSVPGESFPTGRAKWARVTGLDADGSPVSIEGTGLFARMLQHETGHLDGFLYLDRLIGRYARNAKRAVKSHGWGVPGLSWLPGEDPDPFGH 3E3U Peptide deformylase DEF_MYCTU P9WIJ3 L0T3J0 P96275 50440115 CCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 InChI=1S/C18H24N4O3/c1-2-6-13(11-21(25)12-23)18(24)22-10-5-9-16(22)17-19-14-7-3-4-8-15(14)20-17/h3-4,7-8,12-13,16,25H,2,5-6,9-11H2,1H3,(H,19,20)/t13-,16+/m1/s1 FKBOBGSCOIIFGD-CJNGLKHVSA-N 50255001 CHEMBL482179::N-((R)-2-((S)-2-(1H-benzo[d]imidazol-2-yl)pyrrolidine-1-carbonyl)pentyl)-N-hydroxyformamide Peptide deformylase Mycobacterium tuberculosis 24 ChEMBL 10.1016/j.bmcl.2008.10.040 10.7270/Q2VX0GCD 19008098 Pichota, A; Duraiswamy, J; Yin, Z; Keller, TH; Alam, J; Liung, S; Lee, G; Ding, M; Wang, G; Chan, WL; Schreiber, M; Ma, I; Beer, D; Ngew, X; Mukherjee, K; Nanjundappa, M; Teo, JW; Thayalan, P; Yap, A; Dick, T; Meng, W; Xu, M; Koehn, J; Pan, SH; Clark, K; Xie, X; Shoen, C; Cynamon, M Novartis Institute for Tropical Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255001 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004284&target=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255001&enzyme=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search 44570530 104107070 CHEMBL482179 ZINC40934638 1 MAVVPIRIVGDPVLHTATTPVTVAADGSLPADLAQLIATMYDTMDAANGVGLAANQIGCSLRLFVYDCAADRAMTARRRGVVINPVLETSEIPETMPDPDTDDEGCLSVPGESFPTGRAKWARVTGLDADGSPVSIEGTGLFARMLQHETGHLDGFLYLDRLIGRYARNAKRAVKSHGWGVPGLSWLPGEDPDPFGH 3E3U Peptide deformylase DEF_MYCTU P9WIJ3 L0T3J0 P96275 50440116 CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 InChI=1S/C20H28N4O3/c1-2-3-4-8-15(13-23(27)14-25)20(26)24-12-7-11-18(24)19-21-16-9-5-6-10-17(16)22-19/h5-6,9-10,14-15,18,27H,2-4,7-8,11-13H2,1H3,(H,21,22)/t15-,18+/m1/s1 RVDPUENQQQYFQZ-QAPCUYQASA-N 50255002 CHEMBL482180::N-((R)-2-((S)-2-(1H-benzo[d]imidazol-2-yl)pyrrolidine-1-carbonyl)heptyl)-N-hydroxyformamide Peptide deformylase Mycobacterium tuberculosis 15 ChEMBL 10.1016/j.bmcl.2008.10.040 10.7270/Q2VX0GCD 19008098 Pichota, A; Duraiswamy, J; Yin, Z; Keller, TH; Alam, J; Liung, S; Lee, G; Ding, M; Wang, G; Chan, WL; Schreiber, M; Ma, I; Beer, D; Ngew, X; Mukherjee, K; Nanjundappa, M; Teo, JW; Thayalan, P; Yap, A; Dick, T; Meng, W; Xu, M; Koehn, J; Pan, SH; Clark, K; Xie, X; Shoen, C; Cynamon, M Novartis Institute for Tropical Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255002 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004284&target=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255002&enzyme=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search 44570531 104107071 CHEMBL482180 ZINC40409724 1 MAVVPIRIVGDPVLHTATTPVTVAADGSLPADLAQLIATMYDTMDAANGVGLAANQIGCSLRLFVYDCAADRAMTARRRGVVINPVLETSEIPETMPDPDTDDEGCLSVPGESFPTGRAKWARVTGLDADGSPVSIEGTGLFARMLQHETGHLDGFLYLDRLIGRYARNAKRAVKSHGWGVPGLSWLPGEDPDPFGH 3E3U Peptide deformylase DEF_MYCTU P9WIJ3 L0T3J0 P96275 50440117 ON(C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)C=O InChI=1S/C19H24N4O3/c24-12-22(26)11-14(10-13-7-8-13)19(25)23-9-3-6-17(23)18-20-15-4-1-2-5-16(15)21-18/h1-2,4-5,12-14,17,26H,3,6-11H2,(H,20,21)/t14-,17+/m1/s1 LZHNVLKCFOLVSY-PBHICJAKSA-N 50255003 CHEMBL519613::N-((R)-3-((S)-2-(1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-2-(cyclopropylmethyl)-3-oxopropyl)-N-hydroxyformamide Peptide deformylase Mycobacterium tuberculosis 8 ChEMBL 10.1016/j.bmcl.2008.10.040 10.7270/Q2VX0GCD 19008098 Pichota, A; Duraiswamy, J; Yin, Z; Keller, TH; Alam, J; Liung, S; Lee, G; Ding, M; Wang, G; Chan, WL; Schreiber, M; Ma, I; Beer, D; Ngew, X; Mukherjee, K; Nanjundappa, M; Teo, JW; Thayalan, P; Yap, A; Dick, T; Meng, W; Xu, M; Koehn, J; Pan, SH; Clark, K; Xie, X; Shoen, C; Cynamon, M Novartis Institute for Tropical Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255003 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004284&target=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255003&enzyme=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search 44570532 104107072 CHEMBL519613 ZINC40933799 1 MAVVPIRIVGDPVLHTATTPVTVAADGSLPADLAQLIATMYDTMDAANGVGLAANQIGCSLRLFVYDCAADRAMTARRRGVVINPVLETSEIPETMPDPDTDDEGCLSVPGESFPTGRAKWARVTGLDADGSPVSIEGTGLFARMLQHETGHLDGFLYLDRLIGRYARNAKRAVKSHGWGVPGLSWLPGEDPDPFGH 3E3U Peptide deformylase DEF_MYCTU P9WIJ3 L0T3J0 P96275 50440118 ON(C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1)C=O InChI=1S/C22H24N4O3/c27-15-25(29)14-17(13-16-7-2-1-3-8-16)22(28)26-12-6-11-20(26)21-23-18-9-4-5-10-19(18)24-21/h1-5,7-10,15,17,20,29H,6,11-14H2,(H,23,24)/t17-,20+/m1/s1 SIXHKCFBCKWWOC-XLIONFOSSA-N 50255004 CHEMBL481391::N-((R)-3-((S)-2-(1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-2-benzyl-3-oxopropyl)-N-hydroxyformamide Peptide deformylase Mycobacterium tuberculosis 68 ChEMBL 10.1016/j.bmcl.2008.10.040 10.7270/Q2VX0GCD 19008098 Pichota, A; Duraiswamy, J; Yin, Z; Keller, TH; Alam, J; Liung, S; Lee, G; Ding, M; Wang, G; Chan, WL; Schreiber, M; Ma, I; Beer, D; Ngew, X; Mukherjee, K; Nanjundappa, M; Teo, JW; Thayalan, P; Yap, A; Dick, T; Meng, W; Xu, M; Koehn, J; Pan, SH; Clark, K; Xie, X; Shoen, C; Cynamon, M Novartis Institute for Tropical Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255004 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004284&target=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255004&enzyme=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search 44570533 104107073 CHEMBL481391 ZINC40420742 1 MAVVPIRIVGDPVLHTATTPVTVAADGSLPADLAQLIATMYDTMDAANGVGLAANQIGCSLRLFVYDCAADRAMTARRRGVVINPVLETSEIPETMPDPDTDDEGCLSVPGESFPTGRAKWARVTGLDADGSPVSIEGTGLFARMLQHETGHLDGFLYLDRLIGRYARNAKRAVKSHGWGVPGLSWLPGEDPDPFGH 3E3U Peptide deformylase DEF_MYCTU P9WIJ3 L0T3J0 P96275 50440119 CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 InChI=1S/C19H25N3O4/c1-2-3-7-14(12-21(25)13-23)19(24)22-11-6-9-16(22)18-20-15-8-4-5-10-17(15)26-18/h4-5,8,10,13-14,16,25H,2-3,6-7,9,11-12H2,1H3/t14-,16+/m1/s1 QDDZLTVSNABZIK-ZBFHGGJFSA-N 50255030 CHEMBL506649::N-((R)-2-((S)-2-(benzo[d]oxazol-2-yl)pyrrolidine-1-carbonyl)hexyl)-N-hydroxyformamide::N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide Peptide deformylase Mycobacterium tuberculosis 13 ChEMBL 10.1016/j.bmcl.2008.10.040 10.7270/Q2VX0GCD 19008098 Pichota, A; Duraiswamy, J; Yin, Z; Keller, TH; Alam, J; Liung, S; Lee, G; Ding, M; Wang, G; Chan, WL; Schreiber, M; Ma, I; Beer, D; Ngew, X; Mukherjee, K; Nanjundappa, M; Teo, JW; Thayalan, P; Yap, A; Dick, T; Meng, W; Xu, M; Koehn, J; Pan, SH; Clark, K; Xie, X; Shoen, C; Cynamon, M Novartis Institute for Tropical Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004284&target=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255030&enzyme=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search NVC 3E3U 25134267 104107089 CHEMBL506649 DB08310 ZINC40980708 1 MAVVPIRIVGDPVLHTATTPVTVAADGSLPADLAQLIATMYDTMDAANGVGLAANQIGCSLRLFVYDCAADRAMTARRRGVVINPVLETSEIPETMPDPDTDDEGCLSVPGESFPTGRAKWARVTGLDADGSPVSIEGTGLFARMLQHETGHLDGFLYLDRLIGRYARNAKRAVKSHGWGVPGLSWLPGEDPDPFGH 3E3U Peptide deformylase DEF_MYCTU P9WIJ3 L0T3J0 P96275 50440120 CCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 InChI=1S/C18H23N3O4/c1-2-6-13(11-20(24)12-22)18(23)21-10-5-8-15(21)17-19-14-7-3-4-9-16(14)25-17/h3-4,7,9,12-13,15,24H,2,5-6,8,10-11H2,1H3/t13-,15+/m1/s1 QLCRSYUVCFYIBU-HIFRSBDPSA-N 50255031 CHEMBL480220::N-((R)-2-((S)-2-(benzo[d]oxazol-2-yl)pyrrolidine-1-carbonyl)pentyl)-N-hydroxyformamide Peptide deformylase Mycobacterium tuberculosis 28 ChEMBL 10.1016/j.bmcl.2008.10.040 10.7270/Q2VX0GCD 19008098 Pichota, A; Duraiswamy, J; Yin, Z; Keller, TH; Alam, J; Liung, S; Lee, G; Ding, M; Wang, G; Chan, WL; Schreiber, M; Ma, I; Beer, D; Ngew, X; Mukherjee, K; Nanjundappa, M; Teo, JW; Thayalan, P; Yap, A; Dick, T; Meng, W; Xu, M; Koehn, J; Pan, SH; Clark, K; Xie, X; Shoen, C; Cynamon, M Novartis Institute for Tropical Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004284&target=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255031&enzyme=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search 44570569 104107090 CHEMBL480220 ZINC40935091 1 MAVVPIRIVGDPVLHTATTPVTVAADGSLPADLAQLIATMYDTMDAANGVGLAANQIGCSLRLFVYDCAADRAMTARRRGVVINPVLETSEIPETMPDPDTDDEGCLSVPGESFPTGRAKWARVTGLDADGSPVSIEGTGLFARMLQHETGHLDGFLYLDRLIGRYARNAKRAVKSHGWGVPGLSWLPGEDPDPFGH 3E3U Peptide deformylase DEF_MYCTU P9WIJ3 L0T3J0 P96275 50440121 CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 InChI=1S/C20H27N3O4/c1-2-3-4-8-15(13-22(26)14-24)20(25)23-12-7-10-17(23)19-21-16-9-5-6-11-18(16)27-19/h5-6,9,11,14-15,17,26H,2-4,7-8,10,12-13H2,1H3/t15-,17+/m1/s1 MRDSCHQXYLDNSX-WBVHZDCISA-N 50255032 CHEMBL465740::N-((R)-2-((S)-2-(benzo[d]oxazol-2-yl)pyrrolidine-1-carbonyl)heptyl)-N-hydroxyformamide Peptide deformylase Mycobacterium tuberculosis 13 ChEMBL 10.1016/j.bmcl.2008.10.040 10.7270/Q2VX0GCD 19008098 Pichota, A; Duraiswamy, J; Yin, Z; Keller, TH; Alam, J; Liung, S; Lee, G; Ding, M; Wang, G; Chan, WL; Schreiber, M; Ma, I; Beer, D; Ngew, X; Mukherjee, K; Nanjundappa, M; Teo, JW; Thayalan, P; Yap, A; Dick, T; Meng, W; Xu, M; Koehn, J; Pan, SH; Clark, K; Xie, X; Shoen, C; Cynamon, M Novartis Institute for Tropical Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004284&target=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255032&enzyme=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search 44570570 104107091 CHEMBL465740 ZINC40395834 1 MAVVPIRIVGDPVLHTATTPVTVAADGSLPADLAQLIATMYDTMDAANGVGLAANQIGCSLRLFVYDCAADRAMTARRRGVVINPVLETSEIPETMPDPDTDDEGCLSVPGESFPTGRAKWARVTGLDADGSPVSIEGTGLFARMLQHETGHLDGFLYLDRLIGRYARNAKRAVKSHGWGVPGLSWLPGEDPDPFGH 3E3U Peptide deformylase DEF_MYCTU P9WIJ3 L0T3J0 P96275 50440122 ON(C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2o1)C=O InChI=1S/C19H23N3O4/c23-12-21(25)11-14(10-13-7-8-13)19(24)22-9-3-5-16(22)18-20-15-4-1-2-6-17(15)26-18/h1-2,4,6,12-14,16,25H,3,5,7-11H2/t14-,16+/m1/s1 DPXBZUPCBINZLE-ZBFHGGJFSA-N 50255033 CHEMBL463859::N-((R)-3-((S)-2-(benzo[d]oxazol-2-yl)pyrrolidin-1-yl)-2-(cyclopropylmethyl)-3-oxopropyl)-N-hydroxyformamide Peptide deformylase Mycobacterium tuberculosis 21 ChEMBL 10.1016/j.bmcl.2008.10.040 10.7270/Q2VX0GCD 19008098 Pichota, A; Duraiswamy, J; Yin, Z; Keller, TH; Alam, J; Liung, S; Lee, G; Ding, M; Wang, G; Chan, WL; Schreiber, M; Ma, I; Beer, D; Ngew, X; Mukherjee, K; Nanjundappa, M; Teo, JW; Thayalan, P; Yap, A; Dick, T; Meng, W; Xu, M; Koehn, J; Pan, SH; Clark, K; Xie, X; Shoen, C; Cynamon, M Novartis Institute for Tropical Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004284&target=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255033&enzyme=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search 44570571 104107092 CHEMBL463859 ZINC40391066 1 MAVVPIRIVGDPVLHTATTPVTVAADGSLPADLAQLIATMYDTMDAANGVGLAANQIGCSLRLFVYDCAADRAMTARRRGVVINPVLETSEIPETMPDPDTDDEGCLSVPGESFPTGRAKWARVTGLDADGSPVSIEGTGLFARMLQHETGHLDGFLYLDRLIGRYARNAKRAVKSHGWGVPGLSWLPGEDPDPFGH 3E3U Peptide deformylase DEF_MYCTU P9WIJ3 L0T3J0 P96275 50440123 ON(C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2o1)C=O InChI=1S/C22H23N3O4/c26-15-24(28)14-17(13-16-7-2-1-3-8-16)22(27)25-12-6-10-19(25)21-23-18-9-4-5-11-20(18)29-21/h1-5,7-9,11,15,17,19,28H,6,10,12-14H2/t17-,19+/m1/s1 QTRSCHRIEVLLAQ-MJGOQNOKSA-N 50255034 CHEMBL518077::N-((R)-3-((S)-2-(benzo[d]oxazol-2-yl)pyrrolidin-1-yl)-2-benzyl-3-oxopropyl)-N-hydroxyformamide Peptide deformylase Mycobacterium tuberculosis 161 ChEMBL 10.1016/j.bmcl.2008.10.040 10.7270/Q2VX0GCD 19008098 Pichota, A; Duraiswamy, J; Yin, Z; Keller, TH; Alam, J; Liung, S; Lee, G; Ding, M; Wang, G; Chan, WL; Schreiber, M; Ma, I; Beer, D; Ngew, X; Mukherjee, K; Nanjundappa, M; Teo, JW; Thayalan, P; Yap, A; Dick, T; Meng, W; Xu, M; Koehn, J; Pan, SH; Clark, K; Xie, X; Shoen, C; Cynamon, M Novartis Institute for Tropical Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004284&target=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255034&enzyme=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search 44570572 104107093 CHEMBL518077 ZINC40873555 1 MAVVPIRIVGDPVLHTATTPVTVAADGSLPADLAQLIATMYDTMDAANGVGLAANQIGCSLRLFVYDCAADRAMTARRRGVVINPVLETSEIPETMPDPDTDDEGCLSVPGESFPTGRAKWARVTGLDADGSPVSIEGTGLFARMLQHETGHLDGFLYLDRLIGRYARNAKRAVKSHGWGVPGLSWLPGEDPDPFGH 3E3U Peptide deformylase DEF_MYCTU P9WIJ3 L0T3J0 P96275 50440124 CCCC[C@H](CC(O)=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 InChI=1S/C19H25N3O3/c1-2-3-7-13(12-17(23)24)19(25)22-11-6-10-16(22)18-20-14-8-4-5-9-15(14)21-18/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3,(H,20,21)(H,23,24)/t13-,16+/m1/s1 YZNULDWRNNKMJD-CJNGLKHVSA-N 50255063 (R)-3-((S)-2-(1H-benzo[d]imidazol-2-yl)pyrrolidine-1-carbonyl)heptanoic acid::CHEMBL506131 Peptide deformylase Mycobacterium tuberculosis 202 ChEMBL 10.1016/j.bmcl.2008.10.040 10.7270/Q2VX0GCD 19008098 Pichota, A; Duraiswamy, J; Yin, Z; Keller, TH; Alam, J; Liung, S; Lee, G; Ding, M; Wang, G; Chan, WL; Schreiber, M; Ma, I; Beer, D; Ngew, X; Mukherjee, K; Nanjundappa, M; Teo, JW; Thayalan, P; Yap, A; Dick, T; Meng, W; Xu, M; Koehn, J; Pan, SH; Clark, K; Xie, X; Shoen, C; Cynamon, M Novartis Institute for Tropical Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004284&target=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255063&enzyme=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search 23652895 104107116 CHEMBL506131 ZINC40829392 1 MAVVPIRIVGDPVLHTATTPVTVAADGSLPADLAQLIATMYDTMDAANGVGLAANQIGCSLRLFVYDCAADRAMTARRRGVVINPVLETSEIPETMPDPDTDDEGCLSVPGESFPTGRAKWARVTGLDADGSPVSIEGTGLFARMLQHETGHLDGFLYLDRLIGRYARNAKRAVKSHGWGVPGLSWLPGEDPDPFGH 3E3U Peptide deformylase DEF_MYCTU P9WIJ3 L0T3J0 P96275 50440125 CCCC[C@H](CC(O)=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 InChI=1S/C19H24N2O4/c1-2-3-7-13(12-17(22)23)19(24)21-11-6-9-15(21)18-20-14-8-4-5-10-16(14)25-18/h4-5,8,10,13,15H,2-3,6-7,9,11-12H2,1H3,(H,22,23)/t13-,15+/m1/s1 NRBPDHRILYXIDY-HIFRSBDPSA-N 50255064 (R)-3-((S)-2-(benzo[d]oxazol-2-yl)pyrrolidine-1-carbonyl)heptanoic acid::CHEMBL464050 Peptide deformylase Mycobacterium tuberculosis 803 ChEMBL 10.1016/j.bmcl.2008.10.040 10.7270/Q2VX0GCD 19008098 Pichota, A; Duraiswamy, J; Yin, Z; Keller, TH; Alam, J; Liung, S; Lee, G; Ding, M; Wang, G; Chan, WL; Schreiber, M; Ma, I; Beer, D; Ngew, X; Mukherjee, K; Nanjundappa, M; Teo, JW; Thayalan, P; Yap, A; Dick, T; Meng, W; Xu, M; Koehn, J; Pan, SH; Clark, K; Xie, X; Shoen, C; Cynamon, M Novartis Institute for Tropical Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004284&target=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255064&enzyme=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search 23652829 104107117 CHEMBL464050 ZINC40866949 1 MAVVPIRIVGDPVLHTATTPVTVAADGSLPADLAQLIATMYDTMDAANGVGLAANQIGCSLRLFVYDCAADRAMTARRRGVVINPVLETSEIPETMPDPDTDDEGCLSVPGESFPTGRAKWARVTGLDADGSPVSIEGTGLFARMLQHETGHLDGFLYLDRLIGRYARNAKRAVKSHGWGVPGLSWLPGEDPDPFGH 3E3U Peptide deformylase DEF_MYCTU P9WIJ3 L0T3J0 P96275 50440126 CCCC[C@H](C(=O)NO)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 InChI=1S/C18H24N4O3/c1-2-3-7-12(17(23)21-25)18(24)22-11-6-10-15(22)16-19-13-8-4-5-9-14(13)20-16/h4-5,8-9,12,15,25H,2-3,6-7,10-11H2,1H3,(H,19,20)(H,21,23)/t12-,15+/m1/s1 ZJVYHSQMGIFCOI-DOMZBBRYSA-N 50255065 (S)-2-((S)-2-(1H-benzo[d]imidazol-2-yl)pyrrolidine-1-carbonyl)-N-hydroxyhexanamide::CHEMBL464060 Peptide deformylase Mycobacterium tuberculosis 18 ChEMBL 10.1016/j.bmcl.2008.10.040 10.7270/Q2VX0GCD 19008098 Pichota, A; Duraiswamy, J; Yin, Z; Keller, TH; Alam, J; Liung, S; Lee, G; Ding, M; Wang, G; Chan, WL; Schreiber, M; Ma, I; Beer, D; Ngew, X; Mukherjee, K; Nanjundappa, M; Teo, JW; Thayalan, P; Yap, A; Dick, T; Meng, W; Xu, M; Koehn, J; Pan, SH; Clark, K; Xie, X; Shoen, C; Cynamon, M Novartis Institute for Tropical Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004284&target=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255065&enzyme=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search 44570609 104107118 CHEMBL464060 ZINC40872515 1 MAVVPIRIVGDPVLHTATTPVTVAADGSLPADLAQLIATMYDTMDAANGVGLAANQIGCSLRLFVYDCAADRAMTARRRGVVINPVLETSEIPETMPDPDTDDEGCLSVPGESFPTGRAKWARVTGLDADGSPVSIEGTGLFARMLQHETGHLDGFLYLDRLIGRYARNAKRAVKSHGWGVPGLSWLPGEDPDPFGH 3E3U Peptide deformylase DEF_MYCTU P9WIJ3 L0T3J0 P96275 50440127 CCCC[C@H](C(=O)NO)C(=O)N1CCC[C@H]1c1nc2ccccc2o1 InChI=1S/C18H23N3O4/c1-2-3-7-12(16(22)20-24)18(23)21-11-6-9-14(21)17-19-13-8-4-5-10-15(13)25-17/h4-5,8,10,12,14,24H,2-3,6-7,9,11H2,1H3,(H,20,22)/t12-,14+/m1/s1 BDPQRVOASIZZQP-OCCSQVGLSA-N 50255066 (S)-2-((S)-2-(benzo[d]oxazol-2-yl)pyrrolidine-1-carbonyl)-N-hydroxyhexanamide::CHEMBL517164 Peptide deformylase Mycobacterium tuberculosis 49 ChEMBL 10.1016/j.bmcl.2008.10.040 10.7270/Q2VX0GCD 19008098 Pichota, A; Duraiswamy, J; Yin, Z; Keller, TH; Alam, J; Liung, S; Lee, G; Ding, M; Wang, G; Chan, WL; Schreiber, M; Ma, I; Beer, D; Ngew, X; Mukherjee, K; Nanjundappa, M; Teo, JW; Thayalan, P; Yap, A; Dick, T; Meng, W; Xu, M; Koehn, J; Pan, SH; Clark, K; Xie, X; Shoen, C; Cynamon, M Novartis Institute for Tropical Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50255066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004284&target=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50255066&enzyme=Peptide+deformylase&column=ki&startPg=0&Increment=50&submit=Search 44570610 104107119 CHEMBL517164 ZINC40393202 1 MAVVPIRIVGDPVLHTATTPVTVAADGSLPADLAQLIATMYDTMDAANGVGLAANQIGCSLRLFVYDCAADRAMTARRRGVVINPVLETSEIPETMPDPDTDDEGCLSVPGESFPTGRAKWARVTGLDADGSPVSIEGTGLFARMLQHETGHLDGFLYLDRLIGRYARNAKRAVKSHGWGVPGLSWLPGEDPDPFGH 3E3U Peptide deformylase DEF_MYCTU P9WIJ3 L0T3J0 P96275