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 51047006 [O-][N+](=O)c1cn2c3NC(=S)NC(c4ccccc4[N+]([O-])=O)c3c(=O)nc2s1 InChI=1S/C14H8N6O5S2/c21-12-9-10(6-3-1-2-4-7(6)19(22)23)15-13(26)16-11(9)18-5-8(20(24)25)27-14(18)17-12/h1-5,10H,(H2,15,16,26) LJFOTPKXUDOOMA-UHFFFAOYSA-N 50427253 CHEMBL2325124 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 30300 ChEMBL 10.1016/j.bmcl.2013.01.031 10.7270/Q2416ZDF 23391589 Jean Kumar, VU; Poyraz, Ö; Saxena, S; Schnell, R; Yogeeswari, P; Schneider, G; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427253 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427253&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 91899974 164156128 CHEMBL2325124 ZINC95585702 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51047007 COc1ccc(cc1)C1NC(=S)Nc2c1c(=O)nc1sc(cn21)[N+]([O-])=O InChI=1S/C15H11N5O4S2/c1-24-8-4-2-7(3-5-8)11-10-12(17-14(25)16-11)19-6-9(20(22)23)26-15(19)18-13(10)21/h2-6,11H,1H3,(H2,16,17,25) VIUCVDUFAFUEQP-UHFFFAOYSA-N 50427254 CHEMBL2325133 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 22700 ChEMBL 10.1016/j.bmcl.2013.01.031 10.7270/Q2416ZDF 23391589 Jean Kumar, VU; Poyraz, Ö; Saxena, S; Schnell, R; Yogeeswari, P; Schneider, G; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427254 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427254&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 91899975 164156129 CHEMBL2325133 ZINC95581446 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51047008 [O-][N+](=O)c1cn2c3NC(=O)NC(c4ccccc4C(F)(F)F)c3c(=O)nc2s1 InChI=1S/C15H8F3N5O4S/c16-15(17,18)7-4-2-1-3-6(7)10-9-11(20-13(25)19-10)22-5-8(23(26)27)28-14(22)21-12(9)24/h1-5,10H,(H2,19,20,25) IKQIOHWTCAENHB-UHFFFAOYSA-N 50427255 CHEMBL2325114 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 17700 ChEMBL 10.1016/j.bmcl.2013.01.031 10.7270/Q2416ZDF 23391589 Jean Kumar, VU; Poyraz, Ö; Saxena, S; Schnell, R; Yogeeswari, P; Schneider, G; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427255 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427255&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 91899976 164156130 CHEMBL2325114 ZINC95585584 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51047009 Cc1ccccc1C1NC(=S)Nc2c1c(=O)nc1sc(cn21)[N+]([O-])=O InChI=1S/C15H11N5O3S2/c1-7-4-2-3-5-8(7)11-10-12(17-14(24)16-11)19-6-9(20(22)23)25-15(19)18-13(10)21/h2-6,11H,1H3,(H2,16,17,24) IWRBCOGBZYKYFL-UHFFFAOYSA-N 50427256 CHEMBL2325402 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 17700 ChEMBL 10.1016/j.bmcl.2013.01.031 10.7270/Q2416ZDF 23391589 Jean Kumar, VU; Poyraz, Ö; Saxena, S; Schnell, R; Yogeeswari, P; Schneider, G; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427256 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427256&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 91899977 164156131 CHEMBL2325402 ZINC95585821 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51047010 CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(O)=O InChI=1S/C22H32N4O8/c1-3-12(2)18(22(33)34)26-21(32)16(11-27)25-20(31)15(9-13-7-5-4-6-8-13)24-19(30)14(23)10-17(28)29/h4-8,12,14-16,18,27H,3,9-11,23H2,1-2H3,(H,24,30)(H,25,31)(H,26,32)(H,28,29)(H,33,34)/t12-,14-,15-,16-,18-/m0/s1 OYZFXMLOPVDLIH-XEQYVGRISA-N 50427257 CHEMBL2325118 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 7400 ChEMBL 10.1016/j.bmcl.2013.01.031 10.7270/Q2416ZDF 23391589 Jean Kumar, VU; Poyraz, Ö; Saxena, S; Schnell, R; Yogeeswari, P; Schneider, G; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427257&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 16122630 164156132 CHEMBL2325118 C01960 ZINC35307869 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51047011 CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(O)=O InChI=1S/C22H32N4O8/c1-3-12(2)18(22(33)34)26-21(32)16(11-27)25-20(31)15(9-13-7-5-4-6-8-13)24-19(30)14(23)10-17(28)29/h4-8,12,14-16,18,27H,3,9-11,23H2,1-2H3,(H,24,30)(H,25,31)(H,26,32)(H,28,29)(H,33,34)/t12-,14-,15-,16-,18-/m0/s1 OYZFXMLOPVDLIH-XEQYVGRISA-N 50427257 CHEMBL2325118 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 5000 ChEMBL 10.1016/j.bmcl.2013.01.031 10.7270/Q2416ZDF 23391589 Jean Kumar, VU; Poyraz, Ö; Saxena, S; Schnell, R; Yogeeswari, P; Schneider, G; Sriram, D Birla Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427257&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 16122630 164156132 CHEMBL2325118 C01960 ZINC35307869 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51073940 CN1C(=O)\C(S\C1=N/c1cccc(c1)C(O)=O)=C\c1ccccc1OCC(O)=O InChI=1S/C20H16N2O6S/c1-22-18(25)16(10-12-5-2-3-8-15(12)28-11-17(23)24)29-20(22)21-14-7-4-6-13(9-14)19(26)27/h2-10H,11H2,1H3,(H,23,24)(H,26,27)/b16-10-,21-20- ZRWLYRDALGQUID-PTWQKYQPSA-N 50439138 CHEMBL2418558 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 103 ChEMBL 10.1021/jm400710k 10.7270/Q2GB25GH 23879381 Poyraz, O; Jeankumar, VU; Saxena, S; Schnell, R; Haraldsson, M; Yogeeswari, P; Sriram, D; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50439138&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search AWH 3ZEI 5766626 175451455 CHEMBL2418558 ZINC08642769 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51073941 CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(O)=O InChI=1S/C22H32N4O8/c1-3-12(2)18(22(33)34)26-21(32)16(11-27)25-20(31)15(9-13-7-5-4-6-8-13)24-19(30)14(23)10-17(28)29/h4-8,12,14-16,18,27H,3,9-11,23H2,1-2H3,(H,24,30)(H,25,31)(H,26,32)(H,28,29)(H,33,34)/t12-,14-,15-,16-,18-/m0/s1 OYZFXMLOPVDLIH-XEQYVGRISA-N 50427257 CHEMBL2325118 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 2900 ChEMBL 10.1021/jm400710k 10.7270/Q2GB25GH 23879381 Poyraz, O; Jeankumar, VU; Saxena, S; Schnell, R; Haraldsson, M; Yogeeswari, P; Sriram, D; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427257&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 16122630 164156132 CHEMBL2325118 C01960 ZINC35307869 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51073942 CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(O)=O InChI=1S/C22H32N4O8/c1-3-12(2)18(22(33)34)26-21(32)16(11-27)25-20(31)15(9-13-7-5-4-6-8-13)24-19(30)14(23)10-17(28)29/h4-8,12,14-16,18,27H,3,9-11,23H2,1-2H3,(H,24,30)(H,25,31)(H,26,32)(H,28,29)(H,33,34)/t12-,14-,15-,16-,18-/m0/s1 OYZFXMLOPVDLIH-XEQYVGRISA-N 50427257 CHEMBL2325118 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 5000 ChEMBL 10.1021/jm400710k 10.7270/Q2GB25GH 23879381 Poyraz, O; Jeankumar, VU; Saxena, S; Schnell, R; Haraldsson, M; Yogeeswari, P; Sriram, D; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50427257 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50427257&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 16122630 164156132 CHEMBL2325118 C01960 ZINC35307869 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51073943 COc1cc(\C=C2/S\C(=N/c3cccc(c3)C(O)=O)N(C)C2=O)cc(OC)c1OC InChI=1S/C21H20N2O6S/c1-23-19(24)17(10-12-8-15(27-2)18(29-4)16(9-12)28-3)30-21(23)22-14-7-5-6-13(11-14)20(25)26/h5-11H,1-4H3,(H,25,26)/b17-10-,22-21- UGFOHJQHNUTABP-DZHOKGPDSA-N 50439139 CHEMBL2418489 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 70 ChEMBL 10.1021/jm400710k 10.7270/Q2GB25GH 23879381 Poyraz, O; Jeankumar, VU; Saxena, S; Schnell, R; Haraldsson, M; Yogeeswari, P; Sriram, D; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50439139&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 5766625 175451456 CHEMBL2418489 ZINC12318337 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51073944 CN(C)c1ccc(\C=C2/S\C(=N/c3cccc(c3)C(O)=O)N(C)C2=O)cc1 InChI=1S/C20H19N3O3S/c1-22(2)16-9-7-13(8-10-16)11-17-18(24)23(3)20(27-17)21-15-6-4-5-14(12-15)19(25)26/h4-12H,1-3H3,(H,25,26)/b17-11-,21-20- KHLVLBMQIJPTHD-ICSPAVNMSA-N 50439140 CHEMBL2418487 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 37 ChEMBL 10.1021/jm400710k 10.7270/Q2GB25GH 23879381 Poyraz, O; Jeankumar, VU; Saxena, S; Schnell, R; Haraldsson, M; Yogeeswari, P; Sriram, D; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50439140&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 7479510 175451457 CHEMBL2418487 ZINC13713024 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51073945 CN1\C(S\C(=C/c2ccc(F)cc2)C1=O)=N\c1cccc(c1)C(O)=O InChI=1S/C18H13FN2O3S/c1-21-16(22)15(9-11-5-7-13(19)8-6-11)25-18(21)20-14-4-2-3-12(10-14)17(23)24/h2-10H,1H3,(H,23,24)/b15-9-,20-18- UCSWGGNPHWOILR-NGDANQHJSA-N 50439141 CHEMBL2418481 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 19 ChEMBL 10.1021/jm400710k 10.7270/Q2GB25GH 23879381 Poyraz, O; Jeankumar, VU; Saxena, S; Schnell, R; Haraldsson, M; Yogeeswari, P; Sriram, D; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50439141&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 18846250 175451458 CHEMBL2418481 ZINC08377475 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51073946 CCN1C(=O)\C(S\C1=N/c1cccc(c1)C(O)=O)=C\c1ccc(OC)c(OC)c1 InChI=1S/C21H20N2O5S/c1-4-23-19(24)18(11-13-8-9-16(27-2)17(10-13)28-3)29-21(23)22-15-7-5-6-14(12-15)20(25)26/h5-12H,4H2,1-3H3,(H,25,26)/b18-11-,22-21- LJOOPVVZSJRTBO-ZSMCLDEPSA-N 50439142 CHEMBL2418505 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 56 ChEMBL 10.1021/jm400710k 10.7270/Q2GB25GH 23879381 Poyraz, O; Jeankumar, VU; Saxena, S; Schnell, R; Haraldsson, M; Yogeeswari, P; Sriram, D; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50439142&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 18846300 175451459 CHEMBL2418505 ZINC08227346 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51073947 COc1ccc(\C=C2/S\C(=N/c3cccc(c3)C(O)=O)N(C)C2=O)cc1OC InChI=1S/C20H18N2O5S/c1-22-18(23)17(10-12-7-8-15(26-2)16(9-12)27-3)28-20(22)21-14-6-4-5-13(11-14)19(24)25/h4-11H,1-3H3,(H,24,25)/b17-10-,21-20- DXLCDPFPXOUIDO-VGGFPCPZSA-N 50439143 CHEMBL2418504 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 54 ChEMBL 10.1021/jm400710k 10.7270/Q2GB25GH 23879381 Poyraz, O; Jeankumar, VU; Saxena, S; Schnell, R; Haraldsson, M; Yogeeswari, P; Sriram, D; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50439143&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 5766628 175451460 CHEMBL2418504 ZINC12318341 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51073948 COc1cc(\C=C2/S\C(=N/c3cccc(c3)C(O)=O)N(C)C2=O)ccc1O InChI=1S/C19H16N2O5S/c1-21-17(23)16(9-11-6-7-14(22)15(8-11)26-2)27-19(21)20-13-5-3-4-12(10-13)18(24)25/h3-10,22H,1-2H3,(H,24,25)/b16-9-,20-19- WGCCUPABHFATCC-HFCQHAABSA-N 50439144 CHEMBL2418502 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 60 ChEMBL 10.1021/jm400710k 10.7270/Q2GB25GH 23879381 Poyraz, O; Jeankumar, VU; Saxena, S; Schnell, R; Haraldsson, M; Yogeeswari, P; Sriram, D; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50439144&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 5766622 175451461 CHEMBL2418502 ZINC12318343 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51073949 COc1ccccc1\C=C1/S\C(=N/c2cccc(c2)C(O)=O)N(C)C1=O InChI=1S/C19H16N2O4S/c1-21-17(22)16(11-12-6-3-4-9-15(12)25-2)26-19(21)20-14-8-5-7-13(10-14)18(23)24/h3-11H,1-2H3,(H,23,24)/b16-11-,20-19- JUQZSVKJWFINEH-CMLHKUKGSA-N 50439145 CHEMBL2418514 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 160 ChEMBL 10.1021/jm400710k 10.7270/Q2GB25GH 23879381 Poyraz, O; Jeankumar, VU; Saxena, S; Schnell, R; Haraldsson, M; Yogeeswari, P; Sriram, D; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50439145&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 6975033 175451462 CHEMBL2418514 ZINC08626209 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51073950 CN1C(=O)\C(S\C1=N/c1cccc(c1)C(O)=O)=C\c1ccc(OCc2ccccc2)cc1 InChI=1S/C25H20N2O4S/c1-27-23(28)22(32-25(27)26-20-9-5-8-19(15-20)24(29)30)14-17-10-12-21(13-11-17)31-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,29,30)/b22-14-,26-25- SGAPMZGCDITLEU-WBYAUDGUSA-N 50439146 CHEMBL2418529 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 26 ChEMBL 10.1021/jm400710k 10.7270/Q2GB25GH 23879381 Poyraz, O; Jeankumar, VU; Saxena, S; Schnell, R; Haraldsson, M; Yogeeswari, P; Sriram, D; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50439146&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 21228469 175451463 CHEMBL2418529 ZINC35656928 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51073951 COc1ccc(\C=C2/S\C(=N/c3cccc(c3)C(O)=O)N(C)C2=O)cc1 InChI=1S/C19H16N2O4S/c1-21-17(22)16(10-12-6-8-15(25-2)9-7-12)26-19(21)20-14-5-3-4-13(11-14)18(23)24/h3-11H,1-2H3,(H,23,24)/b16-10-,20-19- CFXLDPFMEPHVGK-SMFDUERQSA-N 50439147 CHEMBL2418524 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 34 ChEMBL 10.1021/jm400710k 10.7270/Q2GB25GH 23879381 Poyraz, O; Jeankumar, VU; Saxena, S; Schnell, R; Haraldsson, M; Yogeeswari, P; Sriram, D; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439147 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50439147&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 18846225 175451464 CHEMBL2418524 ZINC08377484 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51073952 CC(C)N1\C(S\C(=C/c2ccc(O)cc2)C1=O)=N\c1cccc(c1)C(O)=O InChI=1S/C20H18N2O4S/c1-12(2)22-18(24)17(10-13-6-8-16(23)9-7-13)27-20(22)21-15-5-3-4-14(11-15)19(25)26/h3-12,23H,1-2H3,(H,25,26)/b17-10-,21-20- BTMRERAPWFENQH-VGGFPCPZSA-N 50439148 CHEMBL2418551 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 141 ChEMBL 10.1021/jm400710k 10.7270/Q2GB25GH 23879381 Poyraz, O; Jeankumar, VU; Saxena, S; Schnell, R; Haraldsson, M; Yogeeswari, P; Sriram, D; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439148 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50439148&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 71819016 175451465 CHEMBL2418551 ZINC96282971 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51073953 OC(=O)c1cccc(c1)\N=C1/S\C(=C/c2ccc(O)cc2)C(=O)N1CC=C InChI=1S/C20H16N2O4S/c1-2-10-22-18(24)17(11-13-6-8-16(23)9-7-13)27-20(22)21-15-5-3-4-14(12-15)19(25)26/h2-9,11-12,23H,1,10H2,(H,25,26)/b17-11-,21-20- IBMPRVWUMIDHFQ-ICSPAVNMSA-N 50439149 CHEMBL2418548 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 110 ChEMBL 10.1021/jm400710k 10.7270/Q2GB25GH 23879381 Poyraz, O; Jeankumar, VU; Saxena, S; Schnell, R; Haraldsson, M; Yogeeswari, P; Sriram, D; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50439149&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 18846386 175451466 CHEMBL2418548 ZINC16928821 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51073954 CCCN1\C(S\C(=C/c2ccc(O)cc2)C1=O)=N\c1cccc(c1)C(O)=O InChI=1S/C20H18N2O4S/c1-2-10-22-18(24)17(11-13-6-8-16(23)9-7-13)27-20(22)21-15-5-3-4-14(12-15)19(25)26/h3-9,11-12,23H,2,10H2,1H3,(H,25,26)/b17-11-,21-20- FWOZHBMXSKBHCU-ICSPAVNMSA-N 50439150 CHEMBL2418545 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 95 ChEMBL 10.1021/jm400710k 10.7270/Q2GB25GH 23879381 Poyraz, O; Jeankumar, VU; Saxena, S; Schnell, R; Haraldsson, M; Yogeeswari, P; Sriram, D; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50439150&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 71818877 175451467 CHEMBL2418545 ZINC96282972 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51073955 CCN1\C(S\C(=C/c2ccc(O)cc2)C1=O)=N\c1cccc(c1)C(O)=O InChI=1S/C19H16N2O4S/c1-2-21-17(23)16(10-12-6-8-15(22)9-7-12)26-19(21)20-14-5-3-4-13(11-14)18(24)25/h3-11,22H,2H2,1H3,(H,24,25)/b16-10-,20-19- MQMPIRJXQYLFHC-SMFDUERQSA-N 50439151 CHEMBL2418569 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 101 ChEMBL 10.1021/jm400710k 10.7270/Q2GB25GH 23879381 Poyraz, O; Jeankumar, VU; Saxena, S; Schnell, R; Haraldsson, M; Yogeeswari, P; Sriram, D; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50439151&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 18846293 175451468 CHEMBL2418569 ZINC08227369 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51073956 CN1\C(S\C(=C/c2ccc(O)cc2)C1=O)=N\c1cccc(c1)C(O)=O InChI=1S/C18H14N2O4S/c1-20-16(22)15(9-11-5-7-14(21)8-6-11)25-18(20)19-13-4-2-3-12(10-13)17(23)24/h2-10,21H,1H3,(H,23,24)/b15-9-,19-18- ZRJFMNSBZWMJDT-FGLCSBSCSA-N 50439152 CHEMBL2418568 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 63 ChEMBL 10.1021/jm400710k 10.7270/Q2GB25GH 23879381 Poyraz, O; Jeankumar, VU; Saxena, S; Schnell, R; Haraldsson, M; Yogeeswari, P; Sriram, D; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50439152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50439152&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 1854503 175451469 CHEMBL2418568 ZINC08642755 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51529381 OC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 InChI=1S/C14H10Cl2N2O3/c15-11-5-4-10(7-12(11)16)18-14(21)17-9-3-1-2-8(6-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21) RAPJIPXYCVHSNT-UHFFFAOYSA-N 50550146 CHEMBL4757665 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 241100 ChEMBL 10.7270/Q29C72Q3 28882483 Brunner, K; Steiner, EM; Reshma, RS; Sriram, D; Schnell, R; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50550146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50550146&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 68Q 5I7A 4102909 461680486 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51529382 OC(=O)c1cccc(NC(=O)Nc2cccc(c2)-c2ccccc2)c1 InChI=1S/C20H16N2O3/c23-19(24)16-9-5-11-18(13-16)22-20(25)21-17-10-4-8-15(12-17)14-6-2-1-3-7-14/h1-13H,(H,23,24)(H2,21,22,25) FMMGJYWGPFRVFI-UHFFFAOYSA-N 50615371 CHEMBL4786399 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 96800 ChEMBL 10.7270/Q29C72Q3 28882483 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615371&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 121493966 494505119 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51529383 OC(=O)c1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1O InChI=1S/C14H10Cl2N2O4/c15-10-3-1-8(6-11(10)16)18-14(22)17-7-2-4-12(19)9(5-7)13(20)21/h1-6,19H,(H,20,21)(H2,17,18,22) FMTGIWPRRZNPAR-UHFFFAOYSA-N 50615372 CHEMBL4779833 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 75700 ChEMBL 10.7270/Q29C72Q3 28882483 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615372&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 4763357 494505120 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51529384 COc1ccc(OC)c(NC(=O)Nc2ccccc2C(O)=O)c1 InChI=1S/C16H16N2O5/c1-22-10-7-8-14(23-2)13(9-10)18-16(21)17-12-6-4-3-5-11(12)15(19)20/h3-9H,1-2H3,(H,19,20)(H2,17,18,21) UGSOZRCXZPXJSU-UHFFFAOYSA-N 50615373 CHEMBL5268625 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 59900 ChEMBL 10.7270/Q29C72Q3 28882483 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615373 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615373&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 5185067 494505121 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51529385 OC(=O)c1cccc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)c(Cl)c2)c1 InChI=1S/C19H13Cl2NO4S/c20-17-8-7-13(11-18(17)21)12-3-2-6-16(10-12)27(25,26)22-15-5-1-4-14(9-15)19(23)24/h1-11,22H,(H,23,24) ZGDOXHWOBCAOTE-UHFFFAOYSA-N 50615374 CHEMBL5287674 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 109900 ChEMBL 10.7270/Q29C72Q3 28882483 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615374 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615374&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 56942315 494505122 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51529395 OC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1 InChI=1S/C14H10Cl2N2O3/c15-11-5-4-10(7-12(11)16)18-14(21)17-9-3-1-2-8(6-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21) RAPJIPXYCVHSNT-UHFFFAOYSA-N 50550146 CHEMBL4757665 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 11200 ChEMBL 10.7270/Q29C72Q3 28882483 Brunner, K; Steiner, EM; Reshma, RS; Sriram, D; Schnell, R; Schneider, G Karolinska Institutet http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50550146 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50550146&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 68Q 5I7A 4102909 461680486 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51529396 OC(=O)c1cccc(NC(=O)Nc2cccc(c2)-c2ccccc2)c1 InChI=1S/C20H16N2O3/c23-19(24)16-9-5-11-18(13-16)22-20(25)21-17-10-4-8-15(12-17)14-6-2-1-3-7-14/h1-13H,(H,23,24)(H2,21,22,25) FMMGJYWGPFRVFI-UHFFFAOYSA-N 50615371 CHEMBL4786399 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 4900 ChEMBL 10.7270/Q29C72Q3 28882483 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615371 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615371&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 121493966 494505119 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51529397 OC(=O)c1ccc(NC(=O)Nc2cccc(c2)-c2ccccc2)cc1O InChI=1S/C20H16N2O4/c23-18-12-16(9-10-17(18)19(24)25)22-20(26)21-15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,23H,(H,24,25)(H2,21,22,26) FJUJZHPFSHEAMU-UHFFFAOYSA-N 50615375 CHEMBL4760385 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 21200 ChEMBL 10.7270/Q29C72Q3 28882483 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615375 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615375&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 121493971 494505123 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51529398 OC(=O)c1cc(NC(=O)Nc2cccc(c2)-c2ccccc2)ccc1O InChI=1S/C20H16N2O4/c23-18-10-9-16(12-17(18)19(24)25)22-20(26)21-15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,23H,(H,24,25)(H2,21,22,26) BRISALGJKGCDGB-UHFFFAOYSA-N 50615376 CHEMBL4740940 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 9300 ChEMBL 10.7270/Q29C72Q3 28882483 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615376 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615376&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 121493970 494505124 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51529399 OC(=O)c1cc(NC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1O InChI=1S/C14H10Cl2N2O4/c15-10-3-1-8(6-11(10)16)18-14(22)17-7-2-4-12(19)9(5-7)13(20)21/h1-6,19H,(H,20,21)(H2,17,18,22) FMTGIWPRRZNPAR-UHFFFAOYSA-N 50615372 CHEMBL4779833 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 2500 ChEMBL 10.7270/Q29C72Q3 28882483 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615372 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615372&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 4763357 494505120 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230 51529400 OC(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1O InChI=1S/C14H11BrN2O4/c15-8-1-3-9(4-2-8)16-14(21)17-10-5-6-11(13(19)20)12(18)7-10/h1-7,18H,(H,19,20)(H2,16,17,21) ROFWDABZAQFUBL-UHFFFAOYSA-N 50615378 CHEMBL5269281 O-acetylserine sulfhydrylase Mycobacterium tuberculosis 29400 ChEMBL 10.7270/Q29C72Q3 28882483 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50615378 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006340&target=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50615378&enzyme=O-acetylserine+sulfhydrylase&column=ki&startPg=0&Increment=50&submit=Search 61190154 494505126 1 MSIAEDITQLIGRTPLVRLRRVTDGAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTPGADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPVLSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD 2Q3B,2Q3C,2Q3D,3ZEI,4I1Y O-acetylserine sulfhydrylase CYSK_MYCTU P9WP55 L0TC08 P0A534 P95230