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 50657258 O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(C#CCNC(=O)Cc2ccccc2)c(=O)[nH]c1=O InChI=1S/C20H22N3O9P/c24-15-10-18(32-16(15)12-31-33(28,29)30)23-11-14(19(26)22-20(23)27)7-4-8-21-17(25)9-13-5-2-1-3-6-13/h1-3,5-6,11,15-16,18,24H,8-10,12H2,(H,21,25)(H,22,26,27)(H2,28,29,30)/p-2/t15-,16+,18+/m0/s1 NEHAEJIQJBTCIL-LZLYRXPVSA-L 50351758 CHEMBL1823503 Flavin-dependent thymidylate synthase Mycobacterium tuberculosis 7300 ChEMBL 10.1021/jm2004688 10.7270/Q24J0FG1 21657202 Kogler, M; Vanderhoydonck, B; De Jonghe, S; Rozenski, J; Van Belle, K; Herman, J; Louat, T; Parchina, A; Sibley, C; Lescrinier, E; Herdewijn, P Katholieke Universiteit Leuven http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351758 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004818&target=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351758&enzyme=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search 91930776 136358444 CHEMBL1823503 ZINC72104767 1 MAETAPLRVQLIAKTDFLAPPDVPWTTDADGGPALVEFAGRACYQSWSKPNPKTATNAGYLRHIIDVGHFSVLEHASVSFYITGISRSCTHELIRHRHFSYSQLSQRYVPEKDSRVVVPPGMEDDADLRHILTEAADAARATYSELLAKLEAKFADQPNAILRRKQARQAARAVLPNATETRIVVTGNYRAWRHFIAMRASEHADVEIRRLAIECLRQLAAVAPAVFADFEVTTLADGTEVATSPLATEA 3GWC,3HZG Flavin-dependent thymidylate synthase THYX_MYCTU P9WG57 L0TD90 O33296 P66930 50657259 O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(C=CC#N)c(=O)[nH]c1=O InChI=1S/C12H14N3O8P/c13-3-1-2-7-5-15(12(18)14-11(7)17)10-4-8(16)9(23-10)6-22-24(19,20)21/h1-2,5,8-10,16H,4,6H2,(H,14,17,18)(H2,19,20,21)/p-2/t8-,9+,10+/m0/s1 BOBJSVJSCXBKSH-IVZWLZJFSA-L 50351759 CHEMBL1823493 Flavin-dependent thymidylate synthase Mycobacterium tuberculosis 7400 ChEMBL 10.1021/jm2004688 10.7270/Q24J0FG1 21657202 Kogler, M; Vanderhoydonck, B; De Jonghe, S; Rozenski, J; Van Belle, K; Herman, J; Louat, T; Parchina, A; Sibley, C; Lescrinier, E; Herdewijn, P Katholieke Universiteit Leuven http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351759 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004818&target=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351759&enzyme=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search 91930777 136358445 CHEMBL1823493 ZINC72105113 1 MAETAPLRVQLIAKTDFLAPPDVPWTTDADGGPALVEFAGRACYQSWSKPNPKTATNAGYLRHIIDVGHFSVLEHASVSFYITGISRSCTHELIRHRHFSYSQLSQRYVPEKDSRVVVPPGMEDDADLRHILTEAADAARATYSELLAKLEAKFADQPNAILRRKQARQAARAVLPNATETRIVVTGNYRAWRHFIAMRASEHADVEIRRLAIECLRQLAAVAPAVFADFEVTTLADGTEVATSPLATEA 3GWC,3HZG Flavin-dependent thymidylate synthase THYX_MYCTU P9WG57 L0TD90 O33296 P66930 50657260 CCCCNC(=O)CCCCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C20H30N3O9P/c1-2-3-10-21-17(25)9-7-5-4-6-8-14-12-23(20(27)22-19(14)26)18-11-15(24)16(32-18)13-31-33(28,29)30/h12,15-16,18,24H,2-5,7,9-11,13H2,1H3,(H,21,25)(H,22,26,27)(H2,28,29,30)/p-2/t15-,16+,18+/m0/s1 NHDCBVNZDJRUFT-LZLYRXPVSA-L 50351760 CHEMBL1823498 Flavin-dependent thymidylate synthase Mycobacterium tuberculosis 8030 ChEMBL 10.1021/jm2004688 10.7270/Q24J0FG1 21657202 Kogler, M; Vanderhoydonck, B; De Jonghe, S; Rozenski, J; Van Belle, K; Herman, J; Louat, T; Parchina, A; Sibley, C; Lescrinier, E; Herdewijn, P Katholieke Universiteit Leuven http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004818&target=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351760&enzyme=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search 91930778 136358446 CHEMBL1823498 ZINC72106570 1 MAETAPLRVQLIAKTDFLAPPDVPWTTDADGGPALVEFAGRACYQSWSKPNPKTATNAGYLRHIIDVGHFSVLEHASVSFYITGISRSCTHELIRHRHFSYSQLSQRYVPEKDSRVVVPPGMEDDADLRHILTEAADAARATYSELLAKLEAKFADQPNAILRRKQARQAARAVLPNATETRIVVTGNYRAWRHFIAMRASEHADVEIRRLAIECLRQLAAVAPAVFADFEVTTLADGTEVATSPLATEA 3GWC,3HZG Flavin-dependent thymidylate synthase THYX_MYCTU P9WG57 L0TD90 O33296 P66930 50657261 CCCCCC(=O)NCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C18H26N3O9P/c1-2-3-4-7-15(23)19-8-5-6-12-10-21(18(25)20-17(12)24)16-9-13(22)14(30-16)11-29-31(26,27)28/h10,13-14,16,22H,2-4,7-9,11H2,1H3,(H,19,23)(H,20,24,25)(H2,26,27,28)/p-2/t13-,14+,16+/m0/s1 GXNVKWFHCDPRKH-SQWLQELKSA-L 50351761 CHEMBL1823501 Flavin-dependent thymidylate synthase Mycobacterium tuberculosis 8610 ChEMBL 10.1021/jm2004688 10.7270/Q24J0FG1 21657202 Kogler, M; Vanderhoydonck, B; De Jonghe, S; Rozenski, J; Van Belle, K; Herman, J; Louat, T; Parchina, A; Sibley, C; Lescrinier, E; Herdewijn, P Katholieke Universiteit Leuven http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004818&target=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351761&enzyme=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search 91930779 136358447 CHEMBL1823501 ZINC72106807 1 MAETAPLRVQLIAKTDFLAPPDVPWTTDADGGPALVEFAGRACYQSWSKPNPKTATNAGYLRHIIDVGHFSVLEHASVSFYITGISRSCTHELIRHRHFSYSQLSQRYVPEKDSRVVVPPGMEDDADLRHILTEAADAARATYSELLAKLEAKFADQPNAILRRKQARQAARAVLPNATETRIVVTGNYRAWRHFIAMRASEHADVEIRRLAIECLRQLAAVAPAVFADFEVTTLADGTEVATSPLATEA 3GWC,3HZG Flavin-dependent thymidylate synthase THYX_MYCTU P9WG57 L0TD90 O33296 P66930 50657262 O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(-c2ccc(F)cc2)c(=O)[nH]c1=O InChI=1S/C15H16FN2O8P/c16-9-3-1-8(2-4-9)10-6-18(15(21)17-14(10)20)13-5-11(19)12(26-13)7-25-27(22,23)24/h1-4,6,11-13,19H,5,7H2,(H,17,20,21)(H2,22,23,24)/p-2/t11-,12+,13+/m0/s1 LKLITVJJIOINHG-YNEHKIRRSA-L 50351762 CHEMBL1823494 Flavin-dependent thymidylate synthase Mycobacterium tuberculosis 10000 ChEMBL 10.1021/jm2004688 10.7270/Q24J0FG1 21657202 Kogler, M; Vanderhoydonck, B; De Jonghe, S; Rozenski, J; Van Belle, K; Herman, J; Louat, T; Parchina, A; Sibley, C; Lescrinier, E; Herdewijn, P Katholieke Universiteit Leuven http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351762 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004818&target=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351762&enzyme=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search 91930780 136358448 CHEMBL1823494 ZINC72105072 1 MAETAPLRVQLIAKTDFLAPPDVPWTTDADGGPALVEFAGRACYQSWSKPNPKTATNAGYLRHIIDVGHFSVLEHASVSFYITGISRSCTHELIRHRHFSYSQLSQRYVPEKDSRVVVPPGMEDDADLRHILTEAADAARATYSELLAKLEAKFADQPNAILRRKQARQAARAVLPNATETRIVVTGNYRAWRHFIAMRASEHADVEIRRLAIECLRQLAAVAPAVFADFEVTTLADGTEVATSPLATEA 3GWC,3HZG Flavin-dependent thymidylate synthase THYX_MYCTU P9WG57 L0TD90 O33296 P66930 50657263 O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(F)c(=O)[nH]c1=O InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/p-2/t5-,6+,7+/m0/s1 HFEKDTCAMMOLQP-RRKCRQDMSA-L 50351763 CHEMBL1823492 Flavin-dependent thymidylate synthase Mycobacterium tuberculosis 290 ChEMBL 10.1021/jm2004688 10.7270/Q24J0FG1 21657202 Kogler, M; Vanderhoydonck, B; De Jonghe, S; Rozenski, J; Van Belle, K; Herman, J; Louat, T; Parchina, A; Sibley, C; Lescrinier, E; Herdewijn, P Katholieke Universiteit Leuven http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004818&target=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351763&enzyme=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search 22876879 136358449 CHEMBL1823492 C04242 ZINC03875881 1 MAETAPLRVQLIAKTDFLAPPDVPWTTDADGGPALVEFAGRACYQSWSKPNPKTATNAGYLRHIIDVGHFSVLEHASVSFYITGISRSCTHELIRHRHFSYSQLSQRYVPEKDSRVVVPPGMEDDADLRHILTEAADAARATYSELLAKLEAKFADQPNAILRRKQARQAARAVLPNATETRIVVTGNYRAWRHFIAMRASEHADVEIRRLAIECLRQLAAVAPAVFADFEVTTLADGTEVATSPLATEA 3GWC,3HZG Flavin-dependent thymidylate synthase THYX_MYCTU P9WG57 L0TD90 O33296 P66930 50657265 CCCCCCCC(=O)NCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C20H30N3O9P/c1-2-3-4-5-6-9-17(25)21-10-7-8-14-12-23(20(27)22-19(14)26)18-11-15(24)16(32-18)13-31-33(28,29)30/h12,15-16,18,24H,2-6,9-11,13H2,1H3,(H,21,25)(H,22,26,27)(H2,28,29,30)/p-2/t15-,16+,18+/m0/s1 BTDQDKXRWXMBKV-LZLYRXPVSA-L 50351764 CHEMBL1823500 Flavin-dependent thymidylate synthase Mycobacterium tuberculosis 910 ChEMBL 10.1021/jm2004688 10.7270/Q24J0FG1 21657202 Kogler, M; Vanderhoydonck, B; De Jonghe, S; Rozenski, J; Van Belle, K; Herman, J; Louat, T; Parchina, A; Sibley, C; Lescrinier, E; Herdewijn, P Katholieke Universiteit Leuven http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004818&target=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351764&enzyme=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search 91930781 136358450 CHEMBL1823500 C16236 ZINC72106332 1 MAETAPLRVQLIAKTDFLAPPDVPWTTDADGGPALVEFAGRACYQSWSKPNPKTATNAGYLRHIIDVGHFSVLEHASVSFYITGISRSCTHELIRHRHFSYSQLSQRYVPEKDSRVVVPPGMEDDADLRHILTEAADAARATYSELLAKLEAKFADQPNAILRRKQARQAARAVLPNATETRIVVTGNYRAWRHFIAMRASEHADVEIRRLAIECLRQLAAVAPAVFADFEVTTLADGTEVATSPLATEA 3GWC,3HZG Flavin-dependent thymidylate synthase THYX_MYCTU P9WG57 L0TD90 O33296 P66930 50657266 CCCCCCNC(=O)NCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C19H29N4O9P/c1-2-3-4-5-8-20-18(26)21-9-6-7-13-11-23(19(27)22-17(13)25)16-10-14(24)15(32-16)12-31-33(28,29)30/h11,14-16,24H,2-5,8-10,12H2,1H3,(H2,20,21,26)(H,22,25,27)(H2,28,29,30)/p-2/t14-,15+,16+/m0/s1 BNANMMGYWDFCPP-ARFHVFGLSA-L 50351765 CHEMBL1823505 Flavin-dependent thymidylate synthase Mycobacterium tuberculosis 4840 ChEMBL 10.1021/jm2004688 10.7270/Q24J0FG1 21657202 Kogler, M; Vanderhoydonck, B; De Jonghe, S; Rozenski, J; Van Belle, K; Herman, J; Louat, T; Parchina, A; Sibley, C; Lescrinier, E; Herdewijn, P Katholieke Universiteit Leuven http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351765 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004818&target=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351765&enzyme=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search 91930782 136358451 CHEMBL1823505 ZINC72106419 1 MAETAPLRVQLIAKTDFLAPPDVPWTTDADGGPALVEFAGRACYQSWSKPNPKTATNAGYLRHIIDVGHFSVLEHASVSFYITGISRSCTHELIRHRHFSYSQLSQRYVPEKDSRVVVPPGMEDDADLRHILTEAADAARATYSELLAKLEAKFADQPNAILRRKQARQAARAVLPNATETRIVVTGNYRAWRHFIAMRASEHADVEIRRLAIECLRQLAAVAPAVFADFEVTTLADGTEVATSPLATEA 3GWC,3HZG Flavin-dependent thymidylate synthase THYX_MYCTU P9WG57 L0TD90 O33296 P66930 50657267 CCCC(=O)NCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C16H22N3O9P/c1-2-4-13(21)17-6-3-5-10-8-19(16(23)18-15(10)22)14-7-11(20)12(28-14)9-27-29(24,25)26/h8,11-12,14,20H,2,4,6-7,9H2,1H3,(H,17,21)(H,18,22,23)(H2,24,25,26)/p-2/t11-,12+,14+/m0/s1 DAFJYMDAGHTDPZ-OUCADQQQSA-L 50351766 CHEMBL1823502 Flavin-dependent thymidylate synthase Mycobacterium tuberculosis 26200 ChEMBL 10.1021/jm2004688 10.7270/Q24J0FG1 21657202 Kogler, M; Vanderhoydonck, B; De Jonghe, S; Rozenski, J; Van Belle, K; Herman, J; Louat, T; Parchina, A; Sibley, C; Lescrinier, E; Herdewijn, P Katholieke Universiteit Leuven http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004818&target=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351766&enzyme=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search 91930783 136358452 CHEMBL1823502 ZINC72104753 1 MAETAPLRVQLIAKTDFLAPPDVPWTTDADGGPALVEFAGRACYQSWSKPNPKTATNAGYLRHIIDVGHFSVLEHASVSFYITGISRSCTHELIRHRHFSYSQLSQRYVPEKDSRVVVPPGMEDDADLRHILTEAADAARATYSELLAKLEAKFADQPNAILRRKQARQAARAVLPNATETRIVVTGNYRAWRHFIAMRASEHADVEIRRLAIECLRQLAAVAPAVFADFEVTTLADGTEVATSPLATEA 3GWC,3HZG Flavin-dependent thymidylate synthase THYX_MYCTU P9WG57 L0TD90 O33296 P66930 50657268 CCCCCCCCCCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C21H33N2O8P/c1-2-3-4-5-6-7-8-9-10-11-12-16-14-23(21(26)22-20(16)25)19-13-17(24)18(31-19)15-30-32(27,28)29/h14,17-19,24H,2-10,13,15H2,1H3,(H,22,25,26)(H2,27,28,29)/p-2/t17-,18+,19+/m0/s1 DTKDXCHFEYRNCI-IPMKNSEASA-L 50351767 CHEMBL1823496 Flavin-dependent thymidylate synthase Mycobacterium tuberculosis 27800 ChEMBL 10.1021/jm2004688 10.7270/Q24J0FG1 21657202 Kogler, M; Vanderhoydonck, B; De Jonghe, S; Rozenski, J; Van Belle, K; Herman, J; Louat, T; Parchina, A; Sibley, C; Lescrinier, E; Herdewijn, P Katholieke Universiteit Leuven http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351767 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004818&target=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351767&enzyme=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search 91930784 136358453 CHEMBL1823496 ZINC72106329 1 MAETAPLRVQLIAKTDFLAPPDVPWTTDADGGPALVEFAGRACYQSWSKPNPKTATNAGYLRHIIDVGHFSVLEHASVSFYITGISRSCTHELIRHRHFSYSQLSQRYVPEKDSRVVVPPGMEDDADLRHILTEAADAARATYSELLAKLEAKFADQPNAILRRKQARQAARAVLPNATETRIVVTGNYRAWRHFIAMRASEHADVEIRRLAIECLRQLAAVAPAVFADFEVTTLADGTEVATSPLATEA 3GWC,3HZG Flavin-dependent thymidylate synthase THYX_MYCTU P9WG57 L0TD90 O33296 P66930 50657269 COc1cccc(c1)-c1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C16H19N2O9P/c1-25-10-4-2-3-9(5-10)11-7-18(16(21)17-15(11)20)14-6-12(19)13(27-14)8-26-28(22,23)24/h2-5,7,12-14,19H,6,8H2,1H3,(H,17,20,21)(H2,22,23,24)/p-2/t12-,13+,14+/m0/s1 AGVBMXSLNQECMG-BFHYXJOUSA-L 50351768 CHEMBL1823495 Flavin-dependent thymidylate synthase Mycobacterium tuberculosis >50000 ChEMBL 10.1021/jm2004688 10.7270/Q24J0FG1 21657202 Kogler, M; Vanderhoydonck, B; De Jonghe, S; Rozenski, J; Van Belle, K; Herman, J; Louat, T; Parchina, A; Sibley, C; Lescrinier, E; Herdewijn, P Katholieke Universiteit Leuven http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004818&target=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351768&enzyme=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search 91930785 136358454 CHEMBL1823495 ZINC72106424 1 MAETAPLRVQLIAKTDFLAPPDVPWTTDADGGPALVEFAGRACYQSWSKPNPKTATNAGYLRHIIDVGHFSVLEHASVSFYITGISRSCTHELIRHRHFSYSQLSQRYVPEKDSRVVVPPGMEDDADLRHILTEAADAARATYSELLAKLEAKFADQPNAILRRKQARQAARAVLPNATETRIVVTGNYRAWRHFIAMRASEHADVEIRRLAIECLRQLAAVAPAVFADFEVTTLADGTEVATSPLATEA 3GWC,3HZG Flavin-dependent thymidylate synthase THYX_MYCTU P9WG57 L0TD90 O33296 P66930 50657270 CCCCCCCCCCC#Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O InChI=1S/C21H33N2O9P/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-23(21(27)22-19(15)26)20-18(25)17(24)16(32-20)14-31-33(28,29)30/h13,16-18,20,24-25H,2-10,14H2,1H3,(H,22,26,27)(H2,28,29,30)/p-2/t16-,17-,18+,20-/m1/s1 HZILVFYAMVIYHP-FTEYMNFISA-L 50351769 CHEMBL1823497 Flavin-dependent thymidylate synthase Mycobacterium tuberculosis >50000 ChEMBL 10.1021/jm2004688 10.7270/Q24J0FG1 21657202 Kogler, M; Vanderhoydonck, B; De Jonghe, S; Rozenski, J; Van Belle, K; Herman, J; Louat, T; Parchina, A; Sibley, C; Lescrinier, E; Herdewijn, P Katholieke Universiteit Leuven http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004818&target=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351769&enzyme=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search 91930786 136358455 CHEMBL1823497 ZINC72106498 1 MAETAPLRVQLIAKTDFLAPPDVPWTTDADGGPALVEFAGRACYQSWSKPNPKTATNAGYLRHIIDVGHFSVLEHASVSFYITGISRSCTHELIRHRHFSYSQLSQRYVPEKDSRVVVPPGMEDDADLRHILTEAADAARATYSELLAKLEAKFADQPNAILRRKQARQAARAVLPNATETRIVVTGNYRAWRHFIAMRASEHADVEIRRLAIECLRQLAAVAPAVFADFEVTTLADGTEVATSPLATEA 3GWC,3HZG Flavin-dependent thymidylate synthase THYX_MYCTU P9WG57 L0TD90 O33296 P66930 50657271 CCCCNC(=O)CCCCC#Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O InChI=1S/C20H30N3O10P/c1-2-3-10-21-15(24)9-7-5-4-6-8-13-11-23(20(28)22-18(13)27)19-17(26)16(25)14(33-19)12-32-34(29,30)31/h11,14,16-17,19,25-26H,2-5,7,9-10,12H2,1H3,(H,21,24)(H,22,27,28)(H2,29,30,31)/p-2/t14-,16-,17+,19-/m1/s1 CELNHSZCHNLKKO-VYCZESIESA-L 50351770 CHEMBL1823499 Flavin-dependent thymidylate synthase Mycobacterium tuberculosis >50000 ChEMBL 10.1021/jm2004688 10.7270/Q24J0FG1 21657202 Kogler, M; Vanderhoydonck, B; De Jonghe, S; Rozenski, J; Van Belle, K; Herman, J; Louat, T; Parchina, A; Sibley, C; Lescrinier, E; Herdewijn, P Katholieke Universiteit Leuven http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351770 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004818&target=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351770&enzyme=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search 91930787 136358456 CHEMBL1823499 ZINC72105248 1 MAETAPLRVQLIAKTDFLAPPDVPWTTDADGGPALVEFAGRACYQSWSKPNPKTATNAGYLRHIIDVGHFSVLEHASVSFYITGISRSCTHELIRHRHFSYSQLSQRYVPEKDSRVVVPPGMEDDADLRHILTEAADAARATYSELLAKLEAKFADQPNAILRRKQARQAARAVLPNATETRIVVTGNYRAWRHFIAMRASEHADVEIRRLAIECLRQLAAVAPAVFADFEVTTLADGTEVATSPLATEA 3GWC,3HZG Flavin-dependent thymidylate synthase THYX_MYCTU P9WG57 L0TD90 O33296 P66930 50657285 CCCCCCCS(=O)(=O)NCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C19H30N3O10PS/c1-2-3-4-5-6-10-34(29,30)20-9-7-8-14-12-22(19(25)21-18(14)24)17-11-15(23)16(32-17)13-31-33(26,27)28/h12,15-17,20,23H,2-6,9-11,13H2,1H3,(H,21,24,25)(H2,26,27,28)/p-2/t15-,16+,17+/m0/s1 IRZNYKQPPOUTKS-GVDBMIGSSA-L 50351771 CHEMBL1823504 Flavin-dependent thymidylate synthase Mycobacterium tuberculosis 6930 ChEMBL 10.1021/jm2004688 10.7270/Q24J0FG1 21657202 Kogler, M; Vanderhoydonck, B; De Jonghe, S; Rozenski, J; Van Belle, K; Herman, J; Louat, T; Parchina, A; Sibley, C; Lescrinier, E; Herdewijn, P Katholieke Universiteit Leuven http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351771 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004818&target=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351771&enzyme=Flavin-dependent+thymidylate+synthase&column=ki&startPg=0&Increment=50&submit=Search 91930788 136358457 CHEMBL1823504 ZINC72106558 1 MAETAPLRVQLIAKTDFLAPPDVPWTTDADGGPALVEFAGRACYQSWSKPNPKTATNAGYLRHIIDVGHFSVLEHASVSFYITGISRSCTHELIRHRHFSYSQLSQRYVPEKDSRVVVPPGMEDDADLRHILTEAADAARATYSELLAKLEAKFADQPNAILRRKQARQAARAVLPNATETRIVVTGNYRAWRHFIAMRASEHADVEIRRLAIECLRQLAAVAPAVFADFEVTTLADGTEVATSPLATEA 3GWC,3HZG Flavin-dependent thymidylate synthase THYX_MYCTU P9WG57 L0TD90 O33296 P66930