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 50017330 Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](N)[C@H]2O)c(=O)[nH]c1=O InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)15)9-7(14)6(11)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3,11H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1 BOECYGFZFFYWPU-JXOAFFINSA-L 50118627 (R)-1-((R)-4-Amino-3-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[3-amino-4-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 27000 ChEMBL 10.1016/s0960-894x(02)00551-6 10.7270/Q24J0FN8 12217356 Vanheusden, V; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118627&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 15956515 104011905 ZINC13525778 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50017331 Cc1cn([C@H]2C[C@H](N)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4,11H2,1H3,(H,12,14,15)(H2,16,17,18)/p-2/t6-,7+,8+/m0/s1 BQZMHQZNZNBJNF-XLPZGREQSA-L 50118626 (R)-1-((R)-4-Amino-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[3-amino-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 235000 ChEMBL 10.1016/s0960-894x(02)00551-6 10.7270/Q24J0FN8 12217356 Vanheusden, V; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118626&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search NYM 1NMZ,363D 15956514 104011904 ZINC06069512 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50017332 Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/p-2/t6-,7+,8+/m0/s1 OIFWQOKDSPDILA-XLPZGREQSA-L 50118628 (R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 10000 ChEMBL 10.1016/s0960-894x(02)00551-6 10.7270/Q24J0FN8 12217356 Vanheusden, V; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118628&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 15956520 104011906 ZINC12503817 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50017333 Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2N)c(=O)[nH]c1=O InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3,11H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1 KXDMCBPRFZBEMV-JXOAFFINSA-L 50118624 (R)-1-((R)-3-Amino-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[4-amino-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 55000 ChEMBL 10.1016/s0960-894x(02)00551-6 10.7270/Q24J0FN8 12217356 Vanheusden, V; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118624&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 15956516 104011902 ZINC13538476 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50017334 Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2Cl)c(=O)[nH]c1=O InChI=1S/C10H14ClN2O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1 ZSKDLXBFUZKPRR-JXOAFFINSA-L 50118625 (R)-1-((R)-3-Chloro-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[4-chloro-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester::[(2R,3R,4R,5R)-4-chloro-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl phosphate Thymidylate kinase Mycobacterium tuberculosis 19000 ChEMBL 10.1016/s0960-894x(02)00551-6 10.7270/Q24J0FN8 12217356 Vanheusden, V; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118625&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 15956517 104011903 ZINC13538479 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50017335 Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2F)c(=O)[nH]c1=O InChI=1S/C10H14FN2O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1 XJQFIHYTCPKUTK-JXOAFFINSA-L 50118623 (R)-1-((R)-3-Fluoro-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester::[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl phosphate Thymidylate kinase Mycobacterium tuberculosis 43000 ChEMBL 10.1016/s0960-894x(02)00551-6 10.7270/Q24J0FN8 12217356 Vanheusden, V; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118623&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 15956518 104011901 ZINC13538481 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50021455 Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 IQFYYKKMVGJFEH-XLPZGREQSA-N 1 dT::thymidine Thymidylate kinase Mycobacterium tuberculosis 27000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=1 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=1&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search THM 4LCA,4ESH,7PNG,6YAG,4UXI,1RXU,2Z1A,3ROE,7WGW,4OGK,5IDT,1ZMX,4HO8,4HO4,4HO2,1TLW,1P7C,4R8J,2J9R,4HN1,2B8T,2Y1I,2Y1J,7PNE,1E2J,5OGA,1OT3,4ZU5,3N2I,3BCU,3H5Q,8ABD,7X8M,7X8O,7ZEM,7X8N,2QQ0,2QQE,1KIM,1G0R,5BSZ,5ET2,1W2G,4LZW,1H5R,4G8J,1P72,6K8P,2VTK,1P6X,4TXJ,4YEK,5FUV,5FUW,7O1H,4QSV 5789 11108071 17748 4718 C00214 ZINC00025672 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50021456 Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O InChI=1S/C20H30N7O23P5/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(45-12)4-43-51(33,34)47-53(37,38)49-55(41,42)50-54(39,40)48-52(35,36)44-5-11-14(29)15(30)19(46-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,22,23)(H,25,31,32)/t9-,10+,11+,12+,14+,15+,19+/m0/s1 JCFDSPQTEMXXLO-SLFMBYJQSA-N 50366828 CHEMBL1236157 Thymidylate kinase Mycobacterium tuberculosis 30000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50366828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50366828&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 447202 160845930 CHEMBL1236157 C01469 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402245 Cc1cn([C@H]2C[C@H](CNC(=S)Nc3ccc(OCc4ccccc4)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C25H28N4O5S/c1-16-13-29(25(32)28-23(16)31)22-11-18(21(14-30)34-22)12-26-24(35)27-19-7-9-20(10-8-19)33-15-17-5-3-2-4-6-17/h2-10,13,18,21-22,30H,11-12,14-15H2,1H3,(H2,26,27,35)(H,28,31,32)/t18-,21-,22-/m1/s1 PESRENFWNXCOCB-STZQEDGTSA-N 50223788 CHEMBL235687::N-(4-(benzyloxy)phenyl)-N'-[(3'-deoxythymidin-3'-yl)methyl]thiourea Thymidylate kinase Mycobacterium tuberculosis 12000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223788&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23635986 104095633 CHEMBL235687 ZINC28864407 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402246 Cc1cn([C@H]2C[C@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C19H20ClF3N4O4S/c1-9-7-27(18(30)26-16(9)29)15-4-10(14(8-28)31-15)6-24-17(32)25-11-2-3-13(20)12(5-11)19(21,22)23/h2-3,5,7,10,14-15,28H,4,6,8H2,1H3,(H2,24,25,32)(H,26,29,30)/t10-,14-,15-/m1/s1 PGLJFXYYGKUBBV-VCTAVGKDSA-N 50223789 CHEMBL430363::N-(3-chloro-4-trifluoromethylphenyl)-N'-[(3'-deoxythymidin-3'-yl)methyl]thiourea Thymidylate kinase Mycobacterium tuberculosis 5000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223789&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23636479 104095634 CHEMBL430363 ZINC28864411 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402247 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(cc3)N3CCOCC3)O2)c(=O)[nH]c1=O InChI=1S/C21H27N5O5S/c1-13-12-26(21(29)24-19(13)28)18-10-16(27)17(31-18)11-22-20(32)23-14-2-4-15(5-3-14)25-6-8-30-9-7-25/h2-5,12,16-18,27H,6-11H2,1H3,(H2,22,23,32)(H,24,28,29)/t16-,17+,18-/m0/s1 JCSSJUMKTPJBPW-KSZLIROESA-N 50223790 CHEMBL235090::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(4-morpholinophenyl)thiourea Thymidylate kinase Mycobacterium tuberculosis 19200 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223790&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23636106 104095635 CHEMBL235090 ZINC28864546 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402248 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NCc3ccccc3)O2)c(=O)[nH]c1=O InChI=1S/C18H22N4O4S/c1-11-10-22(18(25)21-16(11)24)15-7-13(23)14(26-15)9-20-17(27)19-8-12-5-3-2-4-6-12/h2-6,10,13-15,23H,7-9H2,1H3,(H2,19,20,27)(H,21,24,25)/t13-,14+,15-/m0/s1 CEFWDVWKNRAMJK-ZNMIVQPWSA-N 50223791 CHEMBL236115::N-benzyl-N'-(5'-deoxy-alpha-D-thymidin-5'-yl)thiourea Thymidylate kinase Mycobacterium tuberculosis 5400 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223791 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223791&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23636222 104095636 CHEMBL236115 ZINC28864720 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402249 Cc1cn([C@H]2C[C@H](CNC(=O)NC[C@@H]3C[C@H](O[C@H]3CO)n3cc(C)c(=O)[nH]c3=O)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C23H32N6O9/c1-11-7-28(22(35)26-19(11)32)17-3-13(15(9-30)37-17)5-24-21(34)25-6-14-4-18(38-16(14)10-31)29-8-12(2)20(33)27-23(29)36/h7-8,13-18,30-31H,3-6,9-10H2,1-2H3,(H2,24,25,34)(H,26,32,35)(H,27,33,36)/t13-,14+,15-,16+,17-,18+ ZPWVURMEGZTAOU-COYYTBTLSA-N 50223792 1-(((2R,3S,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-tetrahydrofuran-3-yl)methyl)-3-(((2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-tetrahydrofuran-3-yl)methyl)urea::CHEMBL237839 Thymidylate kinase Mycobacterium tuberculosis 37000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223792 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223792&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44436021 104095637 CHEMBL237839 ZINC28864357 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402250 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NC(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O InChI=1S/C24H26N4O4S/c1-15-14-28(24(31)27-22(15)30)20-12-18(29)19(32-20)13-25-23(33)26-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,18-21,29H,12-13H2,1H3,(H2,25,26,33)(H,27,30,31)/t18-,19+,20-/m0/s1 OEONQEKJLJOUNI-ZCNNSNEGSA-N 50223793 CHEMBL400409::N-(benzhydryl)-N-(5'-deoxy-alpha-D-thymidin-5'-yl)thiourea Thymidylate kinase Mycobacterium tuberculosis 4900 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223793 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223793&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23634745 104095638 CHEMBL400409 ZINC28864723 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402251 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(Cl)c(Cl)c3)O2)c(=O)[nH]c1=O InChI=1S/C17H18Cl2N4O5/c1-8-7-23(17(27)22-15(8)25)14-5-12(24)13(28-14)6-20-16(26)21-9-2-3-10(18)11(19)4-9/h2-4,7,12-14,24H,5-6H2,1H3,(H2,20,21,26)(H,22,25,27)/t12-,13+,14-/m0/s1 ZUFJRHNXKCTTSE-MJBXVCDLSA-N 50223795 CHEMBL237381::N-(3,4-dichlorophenyl)-N'-(5'-deoxy-alpha-D-thymidin-5'-yl)-urea Thymidylate kinase Mycobacterium tuberculosis 1100 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223795 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223795&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23634747 104095640 CHEMBL237381 ZINC28864841 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402252 Cc1cn([C@@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]c1=O InChI=1S/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8-/m0/s1 PYWLBQPICCQJFF-RNJXMRFFSA-N 50223794 5'-amino-5'-deoxy-alpha-D-thymidine::CHEMBL428720 Thymidylate kinase Mycobacterium tuberculosis 16000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223794 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223794&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 27469877 104095639 CHEMBL428720 ZINC17000414 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402253 Cc1cn(COCCNC(=S)Nc2ccc(Cl)c(c2)C(F)(F)F)c(=O)[nH]c1=O InChI=1S/C16H16ClF3N4O3S/c1-9-7-24(15(26)23-13(9)25)8-27-5-4-21-14(28)22-10-2-3-12(17)11(6-10)16(18,19)20/h2-3,6-7H,4-5,8H2,1H3,(H2,21,22,28)(H,23,25,26) JNNRTSXRNVBUSR-UHFFFAOYSA-N 50223796 CHEMBL398111::N-[(thymin-1-yl)methoxyethyl]-N'-(4-chloro-3-trifluoromethylphenyl)thiourea Thymidylate kinase Mycobacterium tuberculosis 37000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223796 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223796&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23636349 104095641 CHEMBL398111 ZINC28864904 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402254 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NC34CC5CC(CC(C5)C3)C4)O2)c(=O)[nH]c1=O InChI=1S/C21H30N4O4S/c1-11-10-25(20(28)23-18(11)27)17-5-15(26)16(29-17)9-22-19(30)24-21-6-12-2-13(7-21)4-14(3-12)8-21/h10,12-17,26H,2-9H2,1H3,(H2,22,24,30)(H,23,27,28)/t12?,13?,14?,15-,16+,17-,21?/m0/s1 ZFASYKLQZUYTHE-GAFAZNFXSA-N 50223797 CHEMBL235091::N-(adamant-1-yl)-N'-(5'-deoxy-alpha-D-thymidin-5'-yl)thiourea Thymidylate kinase Mycobacterium tuberculosis 15000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223797 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223797&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23634632 104095642 CHEMBL235091 ZINC28864552 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402255 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NCCc3ccccc3)O2)c(=O)[nH]c1=O InChI=1S/C19H24N4O4S/c1-12-11-23(19(26)22-17(12)25)16-9-14(24)15(27-16)10-21-18(28)20-8-7-13-5-3-2-4-6-13/h2-6,11,14-16,24H,7-10H2,1H3,(H2,20,21,28)(H,22,25,26)/t14-,15+,16-/m0/s1 ZNUVBASGJODLCL-XHSDSOJGSA-N 50223799 CHEMBL235056::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(phenethyl)thiourea Thymidylate kinase Mycobacterium tuberculosis 3800 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223799&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23634746 104095644 CHEMBL235056 ZINC28864772 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402256 Cc1ccc(NC(=S)NC[C@H]2O[C@@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)cc1 InChI=1S/C18H22N4O4S/c1-10-3-5-12(6-4-10)20-17(27)19-8-14-13(23)7-15(26-14)22-9-11(2)16(24)21-18(22)25/h3-6,9,13-15,23H,7-8H2,1-2H3,(H2,19,20,27)(H,21,24,25)/t13-,14+,15-/m0/s1 JWRGJCVYXDYHPA-ZNMIVQPWSA-N 50223800 CHEMBL393791::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(4-methylphenyl)thiourea Thymidylate kinase Mycobacterium tuberculosis 7800 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223800 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223800&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23636104 104095645 CHEMBL393791 ZINC28864484 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402257 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NCc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O InChI=1S/C19H20ClF3N4O4S/c1-9-8-27(18(30)26-16(9)29)15-5-13(28)14(31-15)7-25-17(32)24-6-10-2-3-12(20)11(4-10)19(21,22)23/h2-4,8,13-15,28H,5-7H2,1H3,(H2,24,25,32)(H,26,29,30)/t13-,14+,15-/m0/s1 IIVMPGBHYHZMAQ-ZNMIVQPWSA-N 50223801 CHEMBL392953::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-trifluoromethyl-4-chlorobenzyl)thiourea Thymidylate kinase Mycobacterium tuberculosis 2600 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223801&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23636224 104095646 CHEMBL392953 ZINC28864761 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402258 Cc1cn([C@@H]2C[C@H](O)[C@@H](COP(O)(O)=O)C2)c(=O)[nH]c1=O InChI=1S/C11H17N2O7P/c1-6-4-13(11(16)12-10(6)15)8-2-7(9(14)3-8)5-20-21(17,18)19/h4,7-9,14H,2-3,5H2,1H3,(H,12,15,16)(H2,17,18,19)/t7-,8+,9+/m1/s1 ZRZNWXVGKBVXCO-VGMNWLOBSA-N 50223802 ((1R,2S,4S)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl)methyl dihydrogen phosphate::CHEMBL393853 Thymidylate kinase Mycobacterium tuberculosis 15000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223802 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223802&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44436031 104095647 CHEMBL393853 ZINC28864426 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402259 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)c3ccccc3)O2)c(=O)[nH]c1=O InChI=1S/C17H19N3O5/c1-10-9-20(17(24)19-15(10)22)14-7-12(21)13(25-14)8-18-16(23)11-5-3-2-4-6-11/h2-6,9,12-14,21H,7-8H2,1H3,(H,18,23)(H,19,22,24)/t12-,13+,14-/m0/s1 TVLXILQUDKDOIC-MJBXVCDLSA-N 50223803 5'-benzoylamino-5'-deoxy-alpha-D-thymidine::CHEMBL235093 Thymidylate kinase Mycobacterium tuberculosis 35000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223803 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223803&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23634749 104095648 CHEMBL235093 ZINC28864894 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402260 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc34)O2)c(=O)[nH]c1=O InChI=1S/C31H26N4O9S/c1-14-13-35(30(41)34-27(14)39)26-11-22(38)25(43-26)12-32-29(45)33-15-2-5-19-18(8-15)28(40)44-31(19)20-6-3-16(36)9-23(20)42-24-10-17(37)4-7-21(24)31/h2-10,13,22,25-26,36-38H,11-12H2,1H3,(H2,32,33,45)(H,34,39,41)/t22-,25+,26-/m0/s1 GJPLWJLWVIJHMR-DFCKQENNSA-N 50223804 CHEMBL396133::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(fluoresceinyl)thiourea Thymidylate kinase Mycobacterium tuberculosis 5400 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223804 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223804&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44436054 104095649 CHEMBL396133 ZINC28864702 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402261 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O InChI=1S/C18H18ClF3N4O5/c1-8-7-26(17(30)25-15(8)28)14-5-12(27)13(31-14)6-23-16(29)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,29)(H,25,28,30)/t12-,13+,14-/m0/s1 FIFLVFXOJCAQLR-MJBXVCDLSA-N 50223798 CHEMBL391451::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-trifluoromethyl-4-chlorophenyl)urea Thymidylate kinase Mycobacterium tuberculosis 1900 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223798 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223798&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23636226 104095643 CHEMBL391451 ZINC28864854 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402262 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(Cl)c3)O2)c(=O)[nH]c1=O InChI=1S/C17H18Cl2N4O4S/c1-8-7-23(17(26)22-15(8)25)14-5-12(24)13(27-14)6-20-16(28)21-9-2-3-10(18)11(19)4-9/h2-4,7,12-14,24H,5-6H2,1H3,(H2,20,21,28)(H,22,25,26)/t12-,13+,14-/m0/s1 GARZEPZVYYSFEA-MJBXVCDLSA-N 50223787 CHEMBL235088::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3,4-dichlorophenyl)thiourea Thymidylate kinase Mycobacterium tuberculosis 1000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223787&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23636105 104095632 CHEMBL235088 ZINC28864535 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402263 Cc1ccc(NC(=S)NC[C@H]2C[C@@H](O[C@@H]2CO)n2cc(C)c(=O)[nH]c2=O)cc1 InChI=1S/C19H24N4O4S/c1-11-3-5-14(6-4-11)21-18(28)20-8-13-7-16(27-15(13)10-24)23-9-12(2)17(25)22-19(23)26/h3-6,9,13,15-16,24H,7-8,10H2,1-2H3,(H2,20,21,28)(H,22,25,26)/t13-,15-,16-/m1/s1 DEICNDDYPHNKLW-FVQBIDKESA-N 50223807 CHEMBL393930::N-[(3'-deoxythymidin-3'-yl)methyl]-N'-(4-methylphenyl)thiourea Thymidylate kinase Mycobacterium tuberculosis 36000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223807 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223807&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23635984 104095652 CHEMBL393930 ZINC28864401 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402264 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3cccc(c3)-c3cccnc3)O2)c(=O)[nH]c1=O InChI=1S/C22H23N5O4S/c1-13-12-27(22(30)26-20(13)29)19-9-17(28)18(31-19)11-24-21(32)25-16-6-2-4-14(8-16)15-5-3-7-23-10-15/h2-8,10,12,17-19,28H,9,11H2,1H3,(H2,24,25,32)(H,26,29,30)/t17-,18+,19-/m0/s1 RPZMFAMRFLJXOI-OTWHNJEPSA-N 50223810 CHEMBL401427::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-pyridyl)thiourea Thymidylate kinase Mycobacterium tuberculosis 18000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223810 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223810&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44436053 104095655 CHEMBL401427 ZINC28864696 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402265 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccccc3)O2)c(=O)[nH]c1=O InChI=1S/C17H20N4O4S/c1-10-9-21(17(24)20-15(10)23)14-7-12(22)13(25-14)8-18-16(26)19-11-5-3-2-4-6-11/h2-6,9,12-14,22H,7-8H2,1H3,(H2,18,19,26)(H,20,23,24)/t12-,13+,14-/m0/s1 QQEMCRHFEXEXKS-MJBXVCDLSA-N 50223809 CHEMBL393475::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-phenylthiourea Thymidylate kinase Mycobacterium tuberculosis 16000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223809 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223809&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23634629 104095654 CHEMBL393475 ZINC28864437 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402266 Cc1cn([C@H]2C[C@H](CNC(=S)Nc3ccc(Cl)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C18H21ClN4O4S/c1-10-8-23(18(26)22-16(10)25)15-6-11(14(9-24)27-15)7-20-17(28)21-13-4-2-12(19)3-5-13/h2-5,8,11,14-15,24H,6-7,9H2,1H3,(H2,20,21,28)(H,22,25,26)/t11-,14-,15-/m1/s1 FSACSLMMKYESJB-KCPJHIHWSA-N 50223808 CHEMBL235478::N-(4-chlorophenyl)-N'-[(3'-deoxythymidin-3'-yl)methyl]thiourea Thymidylate kinase Mycobacterium tuberculosis 21000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223808 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223808&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23635982 104095653 CHEMBL235478 ZINC28864395 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402267 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O InChI=1S/C18H18ClF3N4O4S/c1-8-7-26(17(29)25-15(8)28)14-5-12(27)13(30-14)6-23-16(31)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,31)(H,25,28,29)/t12-,13+,14-/m0/s1 IJDGQXGQAWBJEG-MJBXVCDLSA-N 50223806 CHEMBL392137::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-trifluoromethyl-4-chlorophenyl)thiourea Thymidylate kinase Mycobacterium tuberculosis 600 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223806 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223806&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 74X 2YOG 23634631 104095651 CHEMBL392137 ZINC28864538 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402268 Cc1cn([C@H]2C[C@H](CNC(=S)Nc3ccc(Cl)c(Cl)c3)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C18H20Cl2N4O4S/c1-9-7-24(18(27)23-16(9)26)15-4-10(14(8-25)28-15)6-21-17(29)22-11-2-3-12(19)13(20)5-11/h2-3,5,7,10,14-15,25H,4,6,8H2,1H3,(H2,21,22,29)(H,23,26,27)/t10-,14-,15-/m1/s1 QLACFVIENZGIIG-VCTAVGKDSA-N 50223811 CHEMBL235686::N-(3,4-dichlorophenyl)-N'-[(3'-deoxythymidin-3'-yl)methyl]thiourea Thymidylate kinase Mycobacterium tuberculosis 7200 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223811 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223811&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23635985 104095656 CHEMBL235686 ZINC28864404 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402269 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)N[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)O2)c(=O)[nH]c1=O InChI=1S/C20H25N9O7S/c1-7-4-28(20(34)26-16(7)33)10-2-8(30)9(35-10)3-22-19(37)27-17-12(31)13(32)18(36-17)29-6-25-11-14(21)23-5-24-15(11)29/h4-6,8-10,12-13,17-18,30-32H,2-3H2,1H3,(H2,21,23,24)(H2,22,27,37)(H,26,33,34)/t8-,9+,10-,12-,13+,17-,18?/m0/s1 VRWFBBVLOZVJSR-FPFRMEQLSA-N 50223812 CHEMBL429626::N-(5'-deoxyadenosin-5'-yl)-N'-(alpha-D-thymidin-5'-yl)thiourea Thymidylate kinase Mycobacterium tuberculosis 26000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223812 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223812&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44436073 104095657 CHEMBL429626 ZINC28864910 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402270 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NC(=O)c3ccccc3)O2)c(=O)[nH]c1=O InChI=1S/C18H20N4O5S/c1-10-9-22(18(26)21-15(10)24)14-7-12(23)13(27-14)8-19-17(28)20-16(25)11-5-3-2-4-6-11/h2-6,9,12-14,23H,7-8H2,1H3,(H,21,24,26)(H2,19,20,25,28)/t12-,13+,14-/m0/s1 KSTKXUGRPAWENC-MJBXVCDLSA-N 50223814 CHEMBL235695::N-benzoyl-N'-(5'-deoxy-alpha-D-thymidin-5'-yl)thiourea Thymidylate kinase Mycobacterium tuberculosis 7200 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223814 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223814&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23636223 104095659 CHEMBL235695 ZINC28864757 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402271 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)NCCc3ccc(Cl)c(Cl)c3)O2)c(=O)[nH]c1=O InChI=1S/C19H22Cl2N4O4S/c1-10-9-25(19(28)24-17(10)27)16-7-14(26)15(29-16)8-23-18(30)22-5-4-11-2-3-12(20)13(21)6-11/h2-3,6,9,14-16,26H,4-5,7-8H2,1H3,(H2,22,23,30)(H,24,27,28)/t14-,15+,16-/m0/s1 JCBKSAPXABGBEZ-XHSDSOJGSA-N 50223815 CHEMBL393932::N-(3,4-dichlorophenethyl)-N'-(5'-deoxy-alpha-D-thymidin-5'-yl)thiourea Thymidylate kinase Mycobacterium tuberculosis 2200 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223815 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223815&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23636225 104095660 CHEMBL393932 ZINC28864792 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402272 Cc1cn([C@H]2C[C@H](CNC(=S)Nc3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C18H22N4O4S/c1-11-9-22(18(25)21-16(11)24)15-7-12(14(10-23)26-15)8-19-17(27)20-13-5-3-2-4-6-13/h2-6,9,12,14-15,23H,7-8,10H2,1H3,(H2,19,20,27)(H,21,24,25)/t12-,14-,15-/m1/s1 ZVQWJASWDYNVDL-BPLDGKMQSA-N 50223816 CHEMBL392133::N-[(3'-deoxythymidin-3'-yl)methyl]-N'-phenylthiourea Thymidylate kinase Mycobacterium tuberculosis 69000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223816 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223816&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23635981 104095661 CHEMBL392133 ZINC28864370 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402273 Cc1cn([C@@H]2C[C@H](O)[C@@H](CN=[N+]=[N-])O2)c(=O)[nH]c1=O InChI=1S/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8-/m0/s1 GKEHVJFBPNPCKI-RNJXMRFFSA-N 50223817 5'-azido-5'-deoxy-alpha-D-thymidine::CHEMBL235305 Thymidylate kinase Mycobacterium tuberculosis 26500 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223817&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 10084322 104095662 CHEMBL235305 ZINC17060481 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402274 Cc1cn([C@@H]2CC[C@@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O InChI=1S/C18H18ClF3N4O3S/c1-9-8-26(17(28)25-15(9)27)14-5-3-11(29-14)7-23-16(30)24-10-2-4-13(19)12(6-10)18(20,21)22/h2,4,6,8,11,14H,3,5,7H2,1H3,(H2,23,24,30)(H,25,27,28)/t11-,14-/m0/s1 WWBJNCJRIKLDSI-FZMZJTMJSA-N 50223813 CHEMBL236973::N-(3-trifluoromethyl-4-chlorophenyl)-N'-(3',5'-dideoxy-alpha-D-thymidin-5'-yl)thiourea Thymidylate kinase Mycobacterium tuberculosis 2300 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223813 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223813&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23634748 104095658 CHEMBL236973 ZINC28864857 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402275 COc1ccc(NC(=S)NC[C@H]2O[C@@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)cc1 InChI=1S/C18H22N4O5S/c1-10-9-22(18(25)21-16(10)24)15-7-13(23)14(27-15)8-19-17(28)20-11-3-5-12(26-2)6-4-11/h3-6,9,13-15,23H,7-8H2,1-2H3,(H2,19,20,28)(H,21,24,25)/t13-,14+,15-/m0/s1 QAWJLXVRFGSWOR-ZNMIVQPWSA-N 50223818 CHEMBL392734::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(4-methoxyphenyl)thiourea Thymidylate kinase Mycobacterium tuberculosis 10000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223818 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223818&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23634630 104095663 CHEMBL392734 ZINC28864469 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402276 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)cc3)O2)c(=O)[nH]c1=O InChI=1S/C17H19ClN4O4S/c1-9-8-22(17(25)21-15(9)24)14-6-12(23)13(26-14)7-19-16(27)20-11-4-2-10(18)3-5-11/h2-5,8,12-14,23H,6-7H2,1H3,(H2,19,20,27)(H,21,24,25)/t12-,13+,14-/m0/s1 ABWFKNMKMWWFOG-MJBXVCDLSA-N 50223805 CHEMBL442081::N'-(4-chlorophenyl)-N-(5'-deoxy-alpha-D-thymidin-5'-yl)thiourea Thymidylate kinase Mycobacterium tuberculosis 3200 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223805 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223805&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23636103 104095650 CHEMBL442081 ZINC28864454 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402277 Cc1cn([C@H]2O[C@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)C=C2)c(=O)[nH]c1=O InChI=1S/C18H16ClF3N4O3S/c1-9-8-26(17(28)25-15(9)27)14-5-3-11(29-14)7-23-16(30)24-10-2-4-13(19)12(6-10)18(20,21)22/h2-6,8,11,14H,7H2,1H3,(H2,23,24,30)(H,25,27,28)/t11-,14-/m0/s1 BYYDKJRNWJZFLB-FZMZJTMJSA-N 50223819 CHEMBL393394::N-(3',5'-dideoxy-2',3'-didehydro-alpha-D-thymidin-5'-yl)-N-(3-trifluoromethyl-4-chlorophenyl)thiourea Thymidylate kinase Mycobacterium tuberculosis 3800 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223819 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223819&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23636227 104095664 CHEMBL393394 ZINC28864858 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402278 Cc1cn(COCCNC(=S)Nc2ccccc2)c(=O)[nH]c1=O InChI=1S/C15H18N4O3S/c1-11-9-19(15(21)18-13(11)20)10-22-8-7-16-14(23)17-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H2,16,17,23)(H,18,20,21) VTUBXNMADWHATG-UHFFFAOYSA-N 50223821 CHEMBL235304::N-[(thymin-1-yl)methoxyethyl]-N'-phenylthiourea Thymidylate kinase Mycobacterium tuberculosis 260000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223821&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23636348 104095666 CHEMBL235304 ZINC28864901 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50402279 COc1ccc(NC(=S)NC[C@H]2C[C@@H](O[C@@H]2CO)n2cc(C)c(=O)[nH]c2=O)cc1 InChI=1S/C19H24N4O5S/c1-11-9-23(19(26)22-17(11)25)16-7-12(15(10-24)28-16)8-20-18(29)21-13-3-5-14(27-2)6-4-13/h3-6,9,12,15-16,24H,7-8,10H2,1-2H3,(H2,20,21,29)(H,22,25,26)/t12-,15-,16-/m1/s1 JKRVUHMTJHUONI-DAXOMENPSA-N 50223820 CHEMBL235685::N-[(3'-deoxythymidin-3'-yl)methyl]-N'-(4-methoxyphenyl)thiourea Thymidylate kinase Mycobacterium tuberculosis 46000 ChEMBL 10.1021/jm0706158 10.7270/Q2QJ7H1Z 17910427 Van Daele, I; Munier-Lehmann, H; Froeyen, M; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223820 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223820&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23635983 104095665 CHEMBL235685 ZINC28864398 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414355 Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 IQFYYKKMVGJFEH-XLPZGREQSA-N 1 dT::thymidine Thymidylate kinase Mycobacterium tuberculosis 27000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=1 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=1&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search THM 4LCA,4ESH,7PNG,6YAG,4UXI,1RXU,2Z1A,3ROE,7WGW,4OGK,5IDT,1ZMX,4HO8,4HO4,4HO2,1TLW,1P7C,4R8J,2J9R,4HN1,2B8T,2Y1I,2Y1J,7PNE,1E2J,5OGA,1OT3,4ZU5,3N2I,3BCU,3H5Q,8ABD,7X8M,7X8O,7ZEM,7X8N,2QQ0,2QQE,1KIM,1G0R,5BSZ,5ET2,1W2G,4LZW,1H5R,4G8J,1P72,6K8P,2VTK,1P6X,4TXJ,4YEK,5FUV,5FUW,7O1H,4QSV 5789 11108071 17748 4718 C00214 ZINC00025672 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414356 Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n(Cc2ccccc2)c1=O InChI=1S/C17H20N2O6/c1-10-7-19(16-14(22)13(21)12(9-20)25-16)17(24)18(15(10)23)8-11-5-3-2-4-6-11/h2-7,12-14,16,20-22H,8-9H2,1H3/t12-,13-,14-,16-/m1/s1 XNEMCLZXTHLYHS-IXYNUQLISA-N 50271302 3-benzyl-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::CHEMBL520146 Thymidylate kinase Mycobacterium tuberculosis 75000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271302&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44586051 104116176 CHEMBL520146 ZINC40413949 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414357 OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Cl)c(=O)[nH]c1=O InChI=1S/C9H11ClN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1 NJCXGFKPQSFZIB-RRKCRQDMSA-N 50246637 5-chloro-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione::CHEMBL505732::Chlorodeoxyuridine Thymidylate kinase Mycobacterium tuberculosis 10000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50246637 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50246637&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 65510 104102021 CHEMBL505732 ZINC05783757 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414358 Cc1cn(Cc2ccc(Br)cc2)c(=O)[nH]c1=O InChI=1S/C12H11BrN2O2/c1-8-6-15(12(17)14-11(8)16)7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,16,17) PCEMNJLLHJFLAF-UHFFFAOYSA-N 50164420 1-(4-Bromo-benzyl)-5-methyl-1H-pyrimidine-2,4-dione::1-(4-bromobenzyl)-5-methylpyrimidine-2,4(1H,3H)-dione::CHEMBL189057 Thymidylate kinase Mycobacterium tuberculosis 38000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164420&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276665 104050201 CHEMBL189057 ZINC28473324 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414359 COC(=O)CCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 InChI=1S/C16H17ClN2O4/c1-23-14(20)4-2-3-11-5-7-12(8-6-11)9-19-10-13(17)15(21)18-16(19)22/h5-8,10H,2-4,9H2,1H3,(H,18,21,22) WEOKNBIJEQVWJR-UHFFFAOYSA-N 50271624 CHEMBL448393::methyl 4-(4-((5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)butanoate Thymidylate kinase Mycobacterium tuberculosis 59000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271624&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44586335 104116345 CHEMBL448393 ZINC40834838 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414360 COC(=O)CCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 InChI=1S/C16H17BrN2O4/c1-23-14(20)4-2-3-11-5-7-12(8-6-11)9-19-10-13(17)15(21)18-16(19)22/h5-8,10H,2-4,9H2,1H3,(H,18,21,22) RBXQDHAKLXBWDH-UHFFFAOYSA-N 50272059 CHEMBL526527::methyl 4-(4-((5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)butanoate Thymidylate kinase Mycobacterium tuberculosis 52000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50272059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50272059&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44586749 104116573 CHEMBL526527 ZINC40977102 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414361 NC(=O)CCCCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 InChI=1S/C17H20ClN3O3/c18-14-11-21(17(24)20-16(14)23)10-13-8-6-12(7-9-13)4-2-1-3-5-15(19)22/h6-9,11H,1-5,10H2,(H2,19,22)(H,20,23,24) FBXMRWZPZORAGU-UHFFFAOYSA-N 50271577 6-(4-((5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)hexanamide::CHEMBL484515 Thymidylate kinase Mycobacterium tuberculosis 26000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271577 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271577&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44586292 104116322 CHEMBL484515 ZINC40940303 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414362 NC(=O)CCCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 InChI=1S/C17H20BrN3O3/c18-14-11-21(17(24)20-16(14)23)10-13-8-6-12(7-9-13)4-2-1-3-5-15(19)22/h6-9,11H,1-5,10H2,(H2,19,22)(H,20,23,24) FRJBYYSVHFFYTE-UHFFFAOYSA-N 50271576 6-(4-((5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)hexanamide::CHEMBL519186 Thymidylate kinase Mycobacterium tuberculosis 19500 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271576&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 11567378 104116321 CHEMBL519186 ZINC35826516 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414363 OC(=O)CCCCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 InChI=1S/C17H19ClN2O4/c18-14-11-20(17(24)19-16(14)23)10-13-8-6-12(7-9-13)4-2-1-3-5-15(21)22/h6-9,11H,1-5,10H2,(H,21,22)(H,19,23,24) LKHRJTDHHBSRDF-UHFFFAOYSA-N 50271575 6-(4-((5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)hexanoic acid::CHEMBL484514 Thymidylate kinase Mycobacterium tuberculosis 23000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271575&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 11695998 104116320 CHEMBL484514 ZINC38267029 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414364 OC(=O)CCCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 InChI=1S/C17H19BrN2O4/c18-14-11-20(17(24)19-16(14)23)10-13-8-6-12(7-9-13)4-2-1-3-5-15(21)22/h6-9,11H,1-5,10H2,(H,21,22)(H,19,23,24) RQLOSGIEXNOVDH-UHFFFAOYSA-N 50271535 6-(4-((5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)hexanoic acid::CHEMBL449771 Thymidylate kinase Mycobacterium tuberculosis 34000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271535 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271535&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 11689746 104116290 CHEMBL449771 ZINC38253072 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414365 Cc1cn(Cc2ccc(CCCCCC(N)=O)cc2)c(=O)[nH]c1=O InChI=1S/C18H23N3O3/c1-13-11-21(18(24)20-17(13)23)12-15-9-7-14(8-10-15)5-3-2-4-6-16(19)22/h7-11H,2-6,12H2,1H3,(H2,19,22)(H,20,23,24) MOZTUKMQMWQZTL-UHFFFAOYSA-N 50271534 6-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)hexanamide::CHEMBL449001 Thymidylate kinase Mycobacterium tuberculosis 26500 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271534 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271534&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 11645614 104116289 CHEMBL449001 ZINC35995511 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414366 Cc1cn(Cc2ccc(CCCCCC(O)=O)cc2)c(=O)[nH]c1=O InChI=1S/C18H22N2O4/c1-13-11-20(18(24)19-17(13)23)12-15-9-7-14(8-10-15)5-3-2-4-6-16(21)22/h7-11H,2-6,12H2,1H3,(H,21,22)(H,19,23,24) JAEFDWNQYNAJNM-UHFFFAOYSA-N 50164414 6-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)hexanoic acid::6-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-hexanoic acid::CHEMBL190125 Thymidylate kinase Mycobacterium tuberculosis 47000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164414&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276674 104050195 CHEMBL190125 ZINC28470133 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414367 Cc1cn(Cc2ccc(cc2)C#CCCCC(O)=O)c(=O)[nH]c1=O InChI=1S/C18H18N2O4/c1-13-11-20(18(24)19-17(13)23)12-15-9-7-14(8-10-15)5-3-2-4-6-16(21)22/h7-11H,2,4,6,12H2,1H3,(H,21,22)(H,19,23,24) QIBPSZUENHCTBW-UHFFFAOYSA-N 50271533 6-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)hex-5-ynoic acid::CHEMBL482520 Thymidylate kinase Mycobacterium tuberculosis 96000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271533 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271533&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 11616826 104116288 CHEMBL482520 ZINC35941684 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414368 NC(=O)CCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 InChI=1S/C16H18BrN3O3/c17-13-10-20(16(23)19-15(13)22)9-12-7-5-11(6-8-12)3-1-2-4-14(18)21/h5-8,10H,1-4,9H2,(H2,18,21)(H,19,22,23) MSRIHQUXYHTBAR-UHFFFAOYSA-N 50271532 5-(4-((5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)pentanamide::CHEMBL482519 Thymidylate kinase Mycobacterium tuberculosis 35000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271532 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271532&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44586252 104116287 CHEMBL482519 ZINC40410295 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414369 OC(=O)CCCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 InChI=1S/C16H17ClN2O4/c17-13-10-19(16(23)18-15(13)22)9-12-7-5-11(6-8-12)3-1-2-4-14(20)21/h5-8,10H,1-4,9H2,(H,20,21)(H,18,22,23) YIJRHPWRFSQUMC-UHFFFAOYSA-N 50271531 5-(4-((5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)pentanoic acid::CHEMBL483919 Thymidylate kinase Mycobacterium tuberculosis 16000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271531 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271531&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44586251 104116286 CHEMBL483919 ZINC40939897 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414370 OC(=O)CCCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 InChI=1S/C16H17BrN2O4/c17-13-10-19(16(23)18-15(13)22)9-12-7-5-11(6-8-12)3-1-2-4-14(20)21/h5-8,10H,1-4,9H2,(H,20,21)(H,18,22,23) MNMBOFSGYFKNCX-UHFFFAOYSA-N 50271494 5-(4-((5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)pentanoic acid::CHEMBL482916 Thymidylate kinase Mycobacterium tuberculosis 38000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271494&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 11589013 104116256 CHEMBL482916 ZINC35878320 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414371 OC[C@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1 WOVKYSAHUYNSMH-RRKCRQDMSA-N 50207303 5-BROMO-2'-DEOXY URIDINE::5-bromo-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione::Bromodeoxyuridine::CHEMBL222280::cid_6035 Thymidylate kinase Mycobacterium tuberculosis 5000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50207303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50207303&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search U33 2GRB 6035 104084911 472552 CHEMBL222280 ZINC01081243 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414372 Cc1cn(Cc2ccc(CCCCC(N)=O)cc2)c(=O)[nH]c1=O InChI=1S/C17H21N3O3/c1-12-10-20(17(23)19-16(12)22)11-14-8-6-13(7-9-14)4-2-3-5-15(18)21/h6-10H,2-5,11H2,1H3,(H2,18,21)(H,19,22,23) BRDBMYGTVZPMJF-UHFFFAOYSA-N 50271493 5-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)pentanamide::CHEMBL520450 Thymidylate kinase Mycobacterium tuberculosis 55000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271493&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 24764256 104116255 CHEMBL520450 ZINC40943354 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414380 Cc1cn(Cc2ccc(CCCCC(O)=O)cc2)c(=O)[nH]c1=O InChI=1S/C17H20N2O4/c1-12-10-19(17(23)18-16(12)22)11-14-8-6-13(7-9-14)4-2-3-5-15(20)21/h6-10H,2-5,11H2,1H3,(H,20,21)(H,18,22,23) LQAAOAOFFCWKBU-UHFFFAOYSA-N 50271492 5-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)pentanoic acid::CHEMBL482510 Thymidylate kinase Mycobacterium tuberculosis 58000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271492 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271492&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 11536969 104116254 CHEMBL482510 ZINC40943353 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414381 NC(=O)CCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 InChI=1S/C15H16ClN3O3/c16-12-9-19(15(22)18-14(12)21)8-11-6-4-10(5-7-11)2-1-3-13(17)20/h4-7,9H,1-3,8H2,(H2,17,20)(H,18,21,22) ZABZTMRNFIJNRK-UHFFFAOYSA-N 50271491 4-(5-Chloro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-butanamide::CHEMBL482509 Thymidylate kinase Mycobacterium tuberculosis 39000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271491&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 11594927 104116253 CHEMBL482509 ZINC35899586 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414382 NC(=O)CCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 InChI=1S/C15H16BrN3O3/c16-12-9-19(15(22)18-14(12)21)8-11-6-4-10(5-7-11)2-1-3-13(17)20/h4-7,9H,1-3,8H2,(H2,17,20)(H,18,21,22) CEPQTIJLXHPZLS-UHFFFAOYSA-N 50271490 4-(5-Bromo-2,4-dioxo-3,4-dihydro-2H -pyrimidin-1-ylmethyl)-butanamide::CHEMBL482508 Thymidylate kinase Mycobacterium tuberculosis 39000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271490 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271490&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 11523470 104116252 CHEMBL482508 ZINC40943352 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414383 OC(=O)CCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 InChI=1S/C15H15ClN2O4/c16-12-9-18(15(22)17-14(12)21)8-11-6-4-10(5-7-11)2-1-3-13(19)20/h4-7,9H,1-3,8H2,(H,19,20)(H,17,21,22) GUIUESFNWCGBNO-UHFFFAOYSA-N 50271448 5-[5-Chloro-4-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl-methyl)-phenyl]-butanoic acid::CHEMBL520293 Thymidylate kinase Mycobacterium tuberculosis 6500 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271448&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 11500752 104116220 CHEMBL520293 ZINC40940454 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414384 OC(=O)CCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 InChI=1S/C15H15BrN2O4/c16-12-9-18(15(22)17-14(12)21)8-11-6-4-10(5-7-11)2-1-3-13(19)20/h4-7,9H,1-3,8H2,(H,19,20)(H,17,21,22) ZFEWLYYEONBBQQ-UHFFFAOYSA-N 50164412 4-(5-Bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-butanoic acid::4-[4-(5-Bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-butyric acid::CHEMBL189878 Thymidylate kinase Mycobacterium tuberculosis 10000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164412&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276673 104050193 CHEMBL189878 ZINC28473174 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414385 OC(=O)CCCc1ccc(Cn2ccc(=O)[nH]c2=O)cc1 InChI=1S/C15H16N2O4/c18-13-8-9-17(15(21)16-13)10-12-6-4-11(5-7-12)2-1-3-14(19)20/h4-9H,1-3,10H2,(H,19,20)(H,16,18,21) VVWRHEDGSKWKGM-UHFFFAOYSA-N 50271447 4-[4-(2,4-Dioxo-3,4-dihydro-2H -pyrimidin-1-ylmethyl)-phenyl]-butanoic acid::CHEMBL503907 Thymidylate kinase Mycobacterium tuberculosis 202000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271447&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 16726539 104116219 CHEMBL503907 ZINC40833857 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414386 Cc1cn(Cc2ccc(CCCCO)cc2)c(=O)[nH]c1=O InChI=1S/C16H20N2O3/c1-12-10-18(16(21)17-15(12)20)11-14-7-5-13(6-8-14)4-2-3-9-19/h5-8,10,19H,2-4,9,11H2,1H3,(H,17,20,21) DCEFBAVTYSAPRO-UHFFFAOYSA-N 50271446 1-(4-(4-hydroxybutyl)benzyl)-5-methylpyrimidine-2,4(1H,3H)-dione::CHEMBL454546 Thymidylate kinase Mycobacterium tuberculosis 51000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271446 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271446&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 11694923 104116218 CHEMBL454546 ZINC38265182 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414387 Cc1cn(Cc2ccc(cc2)C#CCCO)c(=O)[nH]c1=O InChI=1S/C16H16N2O3/c1-12-10-18(16(21)17-15(12)20)11-14-7-5-13(6-8-14)4-2-3-9-19/h5-8,10,19H,3,9,11H2,1H3,(H,17,20,21) GHOBWEVUPWSUIV-UHFFFAOYSA-N 50271445 1-[4-(4-Hydroxy-butyn-1-yl)-benzyl]-5-methyl-1Hpyrimidine-2,4-dione::CHEMBL485322 Thymidylate kinase Mycobacterium tuberculosis 70000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271445&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23119029 104116217 CHEMBL485322 ZINC40943059 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414388 Cc1cn(Cc2ccc(CCCC(N)=O)cc2)c(=O)[nH]c1=O InChI=1S/C16H19N3O3/c1-11-9-19(16(22)18-15(11)21)10-13-7-5-12(6-8-13)3-2-4-14(17)20/h5-9H,2-4,10H2,1H3,(H2,17,20)(H,18,21,22) AWQCKQBMUGFFOR-UHFFFAOYSA-N 50271444 4-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H -pyrimidin-1-yl-methyl)-phenyl]-butanamide::CHEMBL485122 Thymidylate kinase Mycobacterium tuberculosis 112000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271444&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 11709226 104116216 CHEMBL485122 ZINC40421427 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414389 Cc1cn(Cc2ccc(CCCC(O)=O)cc2)c(=O)[nH]c1=O InChI=1S/C16H18N2O4/c1-11-9-18(16(22)17-15(11)21)10-13-7-5-12(6-8-13)3-2-4-14(19)20/h5-9H,2-4,10H2,1H3,(H,19,20)(H,17,21,22) SOMMVIBQUBKMLP-UHFFFAOYSA-N 50164421 4-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H -pyrimidin-1-yl-methyl)-phenyl]-butanoic acid::4-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-butyric acid::CHEMBL193779 Thymidylate kinase Mycobacterium tuberculosis 13000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164421&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276672 104050202 CHEMBL193779 ZINC28475665 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414390 Cc1cn(Cc2ccc(\C=C\CC(O)=O)cc2)c(=O)[nH]c1=O InChI=1S/C16H16N2O4/c1-11-9-18(16(22)17-15(11)21)10-13-7-5-12(6-8-13)3-2-4-14(19)20/h2-3,5-9H,4,10H2,1H3,(H,19,20)(H,17,21,22)/b3-2+ YAHKPKGASAMYRC-NSCUHMNNSA-N 50271303 4-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H -pyrimidin-1-yl-methyl)-phenyl]-buten-2-oic acid::CHEMBL483334 Thymidylate kinase Mycobacterium tuberculosis 39000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50271303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50271303&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 11709208 104116177 CHEMBL483334 ZINC40943395 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414391 Cc1cn(Cc2ccc(C=CC(N)=O)cc2)c(=O)[nH]c1=O InChI=1S/C15H15N3O3/c1-10-8-18(15(21)17-14(10)20)9-12-4-2-11(3-5-12)6-7-13(16)19/h2-8H,9H2,1H3,(H2,16,19)(H,17,20,21) FMDMDAHYFGGJDW-UHFFFAOYSA-N 50164417 (E)-3-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-acrylamide::3-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)acrylamide::CHEMBL414848 Thymidylate kinase Mycobacterium tuberculosis 195000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164417&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276666 104050198 CHEMBL414848 ZINC28469079 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414392 Cc1cn(Cc2ccc(CCC(O)=O)cc2)c(=O)[nH]c1=O InChI=1S/C15H16N2O4/c1-10-8-17(15(21)16-14(10)20)9-12-4-2-11(3-5-12)6-7-13(18)19/h2-5,8H,6-7,9H2,1H3,(H,18,19)(H,16,20,21) TYIOMEAAOWXKBF-UHFFFAOYSA-N 50164411 3-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)propanoic acid::3-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-propionic acid::CHEMBL189636 Thymidylate kinase Mycobacterium tuberculosis 55000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164411&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276658 104050192 CHEMBL189636 ZINC28471594 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50414393 Cc1cn(Cc2ccc(CCC(N)=O)cc2)c(=O)[nH]c1=O InChI=1S/C15H17N3O3/c1-10-8-18(15(21)17-14(10)20)9-12-4-2-11(3-5-12)6-7-13(16)19/h2-5,8H,6-7,9H2,1H3,(H2,16,19)(H,17,20,21) CLLRGSOMTDEQRP-UHFFFAOYSA-N 50164407 3-(4-(thymin-1-ylmethyl)phenyl)propionamide::3-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-propionamide::CHEMBL364887 Thymidylate kinase Mycobacterium tuberculosis 89000 ChEMBL 10.1016/j.bmc.2008.04.045 10.7270/Q2BR8RZ0 18467107 Gasse, C; Douguet, D; Huteau, V; Marchal, G; Munier-Lehmann, H; Pochet, S CNRS http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164407&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276657 104050188 CHEMBL364887 ZINC28471801 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50613304 Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 GYOZYWVXFNDGLU-XLPZGREQSA-N 50332929 ((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-tetrahydrofuran-2-yl)methyl dihydrogen phosphate::(R)-1-((4S,5R)-4-Hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::2'-deoxythymidine monophosphate::CHEMBL394429::Phosphoric acid mono-[3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester::THYMIDINE-5'-MONOPHOSPHATE::US11111252, Compound TMP::thymidine monophosphate::thymidine-5'-phosphate Thymidylate kinase Mycobacterium tuberculosis 4500 ChEMBL 10.1016/j.ejmech.2010.09.056 10.7270/Q2PN95WH 20951473 Familiar, O; Munier-Lehmann, H; Ainsa, JA; Camarasa, MJ; Perez-Perez, MJ Instituto de Qu£mica M£dica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50332929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50332929&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search DT 4E0P,4E0Y,4E0Z,4E10,4G06,4KPY,4KX3,4N76,4NCA,4NCB,4S0N,4YNQ,5CDM 9700 125083031 17013 CHEMBL394429 DB01643 C00364 ZINC01678872 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50613305 Cc1cn(C\C=C\CN2C(=O)c3cccc4cccc2c34)c(=O)[nH]c1=O InChI=1S/C20H17N3O3/c1-13-12-22(20(26)21-18(13)24)10-2-3-11-23-16-9-5-7-14-6-4-8-15(17(14)16)19(23)25/h2-9,12H,10-11H2,1H3,(H,21,24,26)/b3-2+ QZCGIHOVXKABID-NSCUHMNNSA-N 50332930 5-methyl-1-(4-(2-oxobenzo[cd]indol-1(2H)-yl)but-2-enyl)pyrimidine-2,4(1H,3H)-dione::CHEMBL1632625 Thymidylate kinase Mycobacterium tuberculosis 420 ChEMBL 10.1016/j.ejmech.2010.09.056 10.7270/Q2PN95WH 20951473 Familiar, O; Munier-Lehmann, H; Ainsa, JA; Camarasa, MJ; Perez-Perez, MJ Instituto de Qu£mica M£dica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50332930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50332930&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 53324520 125083032 CHEMBL1632625 ZINC66259078 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50613306 Cc1cn(C\C=C\CN2c3cccc4cccc(c34)S2(=O)=O)c(=O)[nH]c1=O InChI=1S/C19H17N3O4S/c1-13-12-21(19(24)20-18(13)23)10-2-3-11-22-15-8-4-6-14-7-5-9-16(17(14)15)27(22,25)26/h2-9,12H,10-11H2,1H3,(H,20,23,24)/b3-2+ LDUUVXSTHWVZQG-NSCUHMNNSA-N 50332931 1-[4-(1,1-Dioxo-1H-1lambda-6-naphtho[1,8-cd]isothiazol-2-yl)-but-2-enyl]-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL1632626 Thymidylate kinase Mycobacterium tuberculosis 270 ChEMBL 10.1016/j.ejmech.2010.09.056 10.7270/Q2PN95WH 20951473 Familiar, O; Munier-Lehmann, H; Ainsa, JA; Camarasa, MJ; Perez-Perez, MJ Instituto de Qu£mica M£dica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50332931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50332931&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 53319227 125083033 CHEMBL1632626 ZINC66259259 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50613307 Cc1cn(C\C=C\Cn2c3cccc4CCCn(c34)c2=O)c(=O)[nH]c1=O InChI=1S/C19H20N4O3/c1-13-12-21(18(25)20-17(13)24)9-2-3-10-22-15-8-4-6-14-7-5-11-23(16(14)15)19(22)26/h2-4,6,8,12H,5,7,9-11H2,1H3,(H,20,24,25)/b3-2+ LLOATGDFTBNRDZ-NSCUHMNNSA-N 50332932 5-methyl-1-(4-(2-oxo-2,4,5,6-tetrahydro-1H-imidazo[4,5,1-ij]quinolin-1-yl)but-2-enyl)pyrimidine-2,4(1H,3H)-dione::CHEMBL1632627 Thymidylate kinase Mycobacterium tuberculosis 1160 ChEMBL 10.1016/j.ejmech.2010.09.056 10.7270/Q2PN95WH 20951473 Familiar, O; Munier-Lehmann, H; Ainsa, JA; Camarasa, MJ; Perez-Perez, MJ Instituto de Qu£mica M£dica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50332932 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50332932&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 53316598 125083034 CHEMBL1632627 ZINC66259260 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50613308 CC(=O)NC1Cc2cccc3n(C\C=C\Cn4cc(C)c(=O)[nH]c4=O)c(=O)n(C1)c23 InChI=1S/C21H23N5O4/c1-13-11-24(20(29)23-19(13)28)8-3-4-9-25-17-7-5-6-15-10-16(22-14(2)27)12-26(18(15)17)21(25)30/h3-7,11,16H,8-10,12H2,1-2H3,(H,22,27)(H,23,28,29)/b4-3+ LUHPFFVCCHBAKX-ONEGZZNKSA-N 50332933 CHEMBL1631396::N-(1-(4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)but-2-enyl)-2-oxo-2,4,5,6-tetrahydro-1H-imidazo[4,5,1-ij]quinolin-5-yl)acetamide Thymidylate kinase Mycobacterium tuberculosis 5800 ChEMBL 10.1016/j.ejmech.2010.09.056 10.7270/Q2PN95WH 20951473 Familiar, O; Munier-Lehmann, H; Ainsa, JA; Camarasa, MJ; Perez-Perez, MJ Instituto de Qu£mica M£dica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50332933 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50332933&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 53321156 125083035 CHEMBL1631396 ZINC66262793 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50613309 Cc1cn(C\C=C\Cn2c3cccc4CC(N)Cn(c34)c2=O)c(=O)[nH]c1=O InChI=1S/C19H21N5O3/c1-12-10-22(18(26)21-17(12)25)7-2-3-8-23-15-6-4-5-13-9-14(20)11-24(16(13)15)19(23)27/h2-6,10,14H,7-9,11,20H2,1H3,(H,21,25,26)/b3-2+ RAQGAPLVLNFHCE-NSCUHMNNSA-N 50332934 1-(4-(5-amino-2-oxo-2,4,5,6-tetrahydro-1H-imidazo[4,5,1-ij]quinolin-1-yl)but-2-enyl)-5-methylpyrimidine-2,4(1H,3H)-dione::CHEMBL1631394 Thymidylate kinase Mycobacterium tuberculosis 7070 ChEMBL 10.1016/j.ejmech.2010.09.056 10.7270/Q2PN95WH 20951473 Familiar, O; Munier-Lehmann, H; Ainsa, JA; Camarasa, MJ; Perez-Perez, MJ Instituto de Qu£mica M£dica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50332934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50332934&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 53317249 125083036 CHEMBL1631394 ZINC66263261 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50613310 CC(=O)Nc1cc2CCCn3c2c(c1)n(C\C=C\Cn1cc(C)c(=O)[nH]c1=O)c3=O InChI=1S/C21H23N5O4/c1-13-12-24(20(29)23-19(13)28)7-3-4-8-25-17-11-16(22-14(2)27)10-15-6-5-9-26(18(15)17)21(25)30/h3-4,10-12H,5-9H2,1-2H3,(H,22,27)(H,23,28,29)/b4-3+ GFCNDKMSXFLPQQ-ONEGZZNKSA-N 50332935 CHEMBL1631395::N-(1-(4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)but-2-enyl)-2-oxo-2,4,5,6-tetrahydro-1H-imidazo[4,5,1-ij]quinolin-8-yl)acetamide Thymidylate kinase Mycobacterium tuberculosis 930 ChEMBL 10.1016/j.ejmech.2010.09.056 10.7270/Q2PN95WH 20951473 Familiar, O; Munier-Lehmann, H; Ainsa, JA; Camarasa, MJ; Perez-Perez, MJ Instituto de Qu£mica M£dica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50332935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50332935&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 53318537 125083037 CHEMBL1631395 ZINC66262788 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50613311 Cc1cn(C\C=C\Cn2c3cc(N)cc4CCCn(c34)c2=O)c(=O)[nH]c1=O InChI=1S/C19H21N5O3/c1-12-11-22(18(26)21-17(12)25)6-2-3-7-23-15-10-14(20)9-13-5-4-8-24(16(13)15)19(23)27/h2-3,9-11H,4-8,20H2,1H3,(H,21,25,26)/b3-2+ CPYWRFNGEIVHPF-NSCUHMNNSA-N 50332936 1-(4-(8-amino-2-oxo-2,4,5,6-tetrahydro-1H-imidazo[4,5,1-ij]quinolin-1-yl)but-2-enyl)-5-methylpyrimidine-2,4(1H,3H)-dione::CHEMBL1631397 Thymidylate kinase Mycobacterium tuberculosis 2460 ChEMBL 10.1016/j.ejmech.2010.09.056 10.7270/Q2PN95WH 20951473 Familiar, O; Munier-Lehmann, H; Ainsa, JA; Camarasa, MJ; Perez-Perez, MJ Instituto de Qu£mica M£dica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50332936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50332936&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 53323834 125083038 CHEMBL1631397 ZINC66262796 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50613312 Cc1cn(C\C=C\CN2c3cccc4CCCN(c34)S2(=O)=O)c(=O)[nH]c1=O InChI=1S/C18H20N4O4S/c1-13-12-20(18(24)19-17(13)23)9-2-3-10-21-15-8-4-6-14-7-5-11-22(16(14)15)27(21,25)26/h2-4,6,8,12H,5,7,9-11H2,1H3,(H,19,23,24)/b3-2+ IZLRBVGNBNSXFQ-NSCUHMNNSA-N 50332937 1-[4-(2,2-Dioxo-4,5-dihydro-3H-2lambda-6-thia-1,2a-diaza-acenaphthylen-1-yl)-but-2-enyl]-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL1631398 Thymidylate kinase Mycobacterium tuberculosis 570 ChEMBL 10.1016/j.ejmech.2010.09.056 10.7270/Q2PN95WH 20951473 Familiar, O; Munier-Lehmann, H; Ainsa, JA; Camarasa, MJ; Perez-Perez, MJ Instituto de Qu£mica M£dica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50332937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50332937&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 53317250 125083039 CHEMBL1631398 ZINC66262798 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50613313 Brc1cn(C\C=C\CN2c3cccc4CCCN(c34)S2(=O)=O)c(=O)[nH]c1=O InChI=1S/C17H17BrN4O4S/c18-13-11-20(17(24)19-16(13)23)8-1-2-9-21-14-7-3-5-12-6-4-10-22(15(12)14)27(21,25)26/h1-3,5,7,11H,4,6,8-10H2,(H,19,23,24)/b2-1+ SZVGFWQEBHHYCG-OWOJBTEDSA-N 50332938 5-Bromo-1-[4-(2,2-dioxo-4,5-dihydro-3H-2lambda-6-thia-1,2a-diaza-acenaphthylen-1-yl)-but-2-enyl]-1H-pyrimidine-2,4-dione::CHEMBL1631399 Thymidylate kinase Mycobacterium tuberculosis 300 ChEMBL 10.1016/j.ejmech.2010.09.056 10.7270/Q2PN95WH 20951473 Familiar, O; Munier-Lehmann, H; Ainsa, JA; Camarasa, MJ; Perez-Perez, MJ Instituto de Qu£mica M£dica (CSIC) http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50332938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50332938&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 53321424 125083040 CHEMBL1631399 ZINC66262800 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50657286 Cc1cn([C@H]2C[C@@H](O)CO2)c(=O)[nH]c1=O InChI=1S/C9H12N2O4/c1-5-3-11(9(14)10-8(5)13)7-2-6(12)4-15-7/h3,6-7,12H,2,4H2,1H3,(H,10,13,14)/t6-,7-/m1/s1 IVRVAANQRDJDJX-RNFRBKRXSA-N 50351772 CHEMBL1823506 Thymidylate kinase Mycobacterium tuberculosis 18000 ChEMBL 10.1016/j.ejmech.2011.05.036 10.7270/Q20R9PRR 21664010 Toti, KS; Derudas, M; McGuigan, C; Balzarini, J; Van Calenbergh, S University of Gent http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351772&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 46913823 136358458 CHEMBL1823506 ZINC33823542 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707222 Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/p-2/t6-,7+,8+/m0/s1 OIFWQOKDSPDILA-XLPZGREQSA-L 50118628 (R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 10000 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118628&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 15956520 104011906 ZINC12503817 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707223 Cc1cn([C@H]2C[C@H](NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C18H18ClF3N4O5/c1-8-6-26(17(30)25-15(8)28)14-5-12(13(7-27)31-14)24-16(29)23-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,6,12-14,27H,5,7H2,1H3,(H2,23,24,29)(H,25,28,30)/t12-,13+,14+/m0/s1 IEXDOTKWPMIARU-BFHYXJOUSA-N 50359618 CHEMBL1928428 Thymidylate kinase Mycobacterium tuberculosis 2800 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359618 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359618&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 49771519 136963642 CHEMBL1928428 ZINC73198357 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707224 Cc1cn([C@H]2C[C@H](NC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C18H18ClF3N4O4S/c1-8-6-26(17(29)25-15(8)28)14-5-12(13(7-27)30-14)24-16(31)23-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,6,12-14,27H,5,7H2,1H3,(H2,23,24,31)(H,25,28,29)/t12-,13+,14+/m0/s1 MZDLFVKFDHPYOO-BFHYXJOUSA-N 50314850 1-(4-chloro-3-(trifluoromethyl)phenyl)-3-((2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)thiourea::CHEMBL1091873 Thymidylate kinase Mycobacterium tuberculosis 9900 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314850&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 46885250 104149211 CHEMBL1091873 ZINC49115831 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707225 Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 HBOMLICNUCNMMY-XLPZGREQSA-N 50002692 (AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::(AZT)1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((2R,4R,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,4S,5S)-4-(diazoamino)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,4S,5S)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((2R,4S,5S)-4-azido-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,5S)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((2S,4R,5R)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (AzddThd, AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (N3ddThd)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione [AZT]::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(3'-azido-2',3'-dideoxythymidine)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(Zidovudine, AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(azidothymidine, AZT)::3'-Azido-3'-deoxy-thymidine::3'-Deoxy-3-azidothymidine::3'-azido-2',3'-dideoxythymidine::3'-azido-thymidine::3'azido-2'3'-dideoxythymidine::3-((2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)triaz-1-en-2-ium-1-ide::4-(4-Azido-5-hydroxy-tetrahydro-furan-2-yl)-5-methyl-3H-pyrazine-2,6-dione::AZT::BW-A-509U::BWA509U::CHEMBL129::Retrovir::US10071110, Compound AZT::US11420959, Example AZT::ZIDOVUDINE::azidothymidine::zidovudin::zudovidine Thymidylate kinase Mycobacterium tuberculosis 28000 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002692&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search AZZ 3B9L,3B9M,3BCR,4LHM,2JJ8 35370 103916892 10110 CHEMBL129 DB00495 4825 C07210 ZINC03779042 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707226 Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccccc2)c(=O)[nH]c1=O InChI=1S/C18H19N5O4/c1-11-8-22(18(26)19-17(11)25)16-7-14(15(10-24)27-16)23-9-13(20-21-23)12-5-3-2-4-6-12/h2-6,8-9,14-16,24H,7,10H2,1H3,(H,19,25,26)/t14-,15+,16+/m0/s1 YIIUPUWFCBAYMU-ARFHVFGLSA-N 50314836 3'-(4-Phenyl-1,2,3-triazol-1-yl)-3'-deoxythymidine::3'-Deoxy-3'-(4-phenyl-1,2,3-triazol-1-yl)-beta-D-thymidine::CHEMBL1090132 Thymidylate kinase Mycobacterium tuberculosis 4200 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314836 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314836&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 14606828 104149197 CHEMBL1090132 ZINC09339858 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707227 Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccc(Cl)cc2)c(=O)[nH]c1=O InChI=1S/C18H18ClN5O4/c1-10-7-23(18(27)20-17(10)26)16-6-14(15(9-25)28-16)24-8-13(21-22-24)11-2-4-12(19)5-3-11/h2-5,7-8,14-16,25H,6,9H2,1H3,(H,20,26,27)/t14-,15+,16+/m0/s1 WWMWBLWTLDFTOG-ARFHVFGLSA-N 50314839 3'-(4-Chlorophenyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-thymidine::CHEMBL1089867 Thymidylate kinase Mycobacterium tuberculosis 2100 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314839 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314839&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 46884564 104149200 CHEMBL1089867 ZINC49067625 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707228 Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccc(Cl)cc2)c(=O)[nH]c1=S InChI=1S/C18H18ClN5O3S/c1-10-7-23(18(26)20-17(10)28)16-6-14(15(9-25)27-16)24-8-13(21-22-24)11-2-4-12(19)5-3-11/h2-5,7-8,14-16,25H,6,9H2,1H3,(H,20,26,28)/t14-,15+,16+/m0/s1 VATKQWWQEVEVTL-ARFHVFGLSA-N 50359619 CHEMBL1928429 Thymidylate kinase Mycobacterium tuberculosis 15000 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359619&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 57391914 136963643 CHEMBL1928429 ZINC82152799 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707229 Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2cc(Cc3ccccc3)nn2)c(=O)[nH]c1=O InChI=1S/C19H21N5O4/c1-12-9-23(19(27)20-18(12)26)17-8-15(16(11-25)28-17)24-10-14(21-22-24)7-13-5-3-2-4-6-13/h2-6,9-10,15-17,25H,7-8,11H2,1H3,(H,20,26,27)/t15-,16+,17+/m0/s1 YSZNONLNIIELSQ-GVDBMIGSSA-N 50314837 3'-(4-Benzyl-1,2,3-triazol-1-yl)-3'-deoxy-beta-D-thymidine::3'-(4-Benzyl-1,2,3-triazol-1-yl)-3'-deoxythymidine::CHEMBL1090133 Thymidylate kinase Mycobacterium tuberculosis 2700 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50314837 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50314837&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 46885301 104149198 CHEMBL1090133 ZINC49067297 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707230 Cc1cn([C@H]2C[C@H](Nc3nnnn3-c3ccc(Cl)c(c3)C(F)(F)F)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C18H17ClF3N7O4/c1-8-6-28(17(32)24-15(8)31)14-5-12(13(7-30)33-14)23-16-25-26-27-29(16)9-2-3-11(19)10(4-9)18(20,21)22/h2-4,6,12-14,30H,5,7H2,1H3,(H,23,25,27)(H,24,31,32)/t12-,13+,14+/m0/s1 JYARFFVISXLCCJ-BFHYXJOUSA-N 50359620 CHEMBL1928430 Thymidylate kinase Mycobacterium tuberculosis 45000 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359620 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359620&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 51034161 136963644 CHEMBL1928430 ZINC73198742 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707231 Cc1cn([C@H]2C[C@@H]([C@@H](CO)O2)n2nnnc2NCc2ccccc2)c(=O)[nH]c1=O InChI=1S/C18H21N7O4/c1-11-9-24(18(28)20-16(11)27)15-7-13(14(10-26)29-15)25-17(21-22-23-25)19-8-12-5-3-2-4-6-12/h2-6,9,13-15,26H,7-8,10H2,1H3,(H,19,21,23)(H,20,27,28)/t13-,14+,15+/m0/s1 TWXGRDUQWWJONO-RRFJBIMHSA-N 50359621 CHEMBL1928431 Thymidylate kinase Mycobacterium tuberculosis 2300 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359621&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 51034271 136963645 CHEMBL1928431 ZINC73198743 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707232 Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O InChI=1S/C18H18ClF3N4O4S/c1-8-7-26(17(29)25-15(8)28)14-5-12(27)13(30-14)6-23-16(31)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,31)(H,25,28,29)/t12-,13+,14+/m0/s1 IJDGQXGQAWBJEG-BFHYXJOUSA-N 50359622 CHEMBL1928432 Thymidylate kinase Mycobacterium tuberculosis 14500 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359622&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 74W 2YOF 57393641 136963646 CHEMBL1928432 ZINC73198744 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707233 Cc1cn([C@H]2C[C@H](O)[C@@H](CNc3nnnn3-c3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O InChI=1S/C18H17ClF3N7O4/c1-8-7-28(17(32)24-15(8)31)14-5-12(30)13(33-14)6-23-16-25-26-27-29(16)9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,30H,5-6H2,1H3,(H,23,25,27)(H,24,31,32)/t12-,13+,14+/m0/s1 CUQUYBGGVVOGIK-BFHYXJOUSA-N 50359623 CHEMBL1928433 Thymidylate kinase Mycobacterium tuberculosis 73000 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359623&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 57395360 136963647 CHEMBL1928433 ZINC73198745 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707234 Cc1cn([C@H]2C[C@H](O)[C@@H](Cn3cc(nn3)-c3ccc(Cl)cc3)O2)c(=O)[nH]c1=O InChI=1S/C18H18ClN5O4/c1-10-7-24(18(27)20-17(10)26)16-6-14(25)15(28-16)9-23-8-13(21-22-23)11-2-4-12(19)5-3-11/h2-5,7-8,14-16,25H,6,9H2,1H3,(H,20,26,27)/t14-,15+,16+/m0/s1 DLAILBGQXYXVQI-ARFHVFGLSA-N 50359624 CHEMBL1926703 Thymidylate kinase Mycobacterium tuberculosis 201000 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359624&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 57395804 136963648 CHEMBL1926703 ZINC73389112 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707235 Cc1cn([C@@H]2C[C@H](O)[C@@H](CN=[N+]=[N-])O2)c(=O)[nH]c1=O InChI=1S/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8-/m0/s1 GKEHVJFBPNPCKI-RNJXMRFFSA-N 50223817 5'-azido-5'-deoxy-alpha-D-thymidine::CHEMBL235305 Thymidylate kinase Mycobacterium tuberculosis 26500 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223817 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223817&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 10084322 104095662 CHEMBL235305 ZINC17060481 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707236 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=S InChI=1S/C18H18ClF3N4O3S2/c1-8-7-26(17(28)25-15(8)30)14-5-12(27)13(29-14)6-23-16(31)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,31)(H,25,28,30)/t12-,13+,14-/m0/s1 ZOSAVGSYBNMSTG-MJBXVCDLSA-N 50359625 CHEMBL1928435 Thymidylate kinase Mycobacterium tuberculosis 170 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359625&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 56656556 136963649 CHEMBL1928435 ZINC82153979 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707237 Cc1cn([C@@H]2C[C@H](O)[C@@H](Cn3cc(nn3)-c3ccc(Cl)cc3)O2)c(=O)[nH]c1=O InChI=1S/C18H18ClN5O4/c1-10-7-24(18(27)20-17(10)26)16-6-14(25)15(28-16)9-23-8-13(21-22-23)11-2-4-12(19)5-3-11/h2-5,7-8,14-16,25H,6,9H2,1H3,(H,20,26,27)/t14-,15+,16-/m0/s1 DLAILBGQXYXVQI-XHSDSOJGSA-N 50359626 CHEMBL1928436 Thymidylate kinase Mycobacterium tuberculosis 9000 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359626&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 57400578 136963650 CHEMBL1928436 ZINC73197610 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707238 Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8-/m0/s1 HBOMLICNUCNMMY-RNJXMRFFSA-N 50359627 CHEMBL1253612 Thymidylate kinase Mycobacterium tuberculosis 6000 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359627&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 10220987 136963651 CHEMBL1253612 ZINC03978074 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50707239 Cc1cn([C@@H]2C[C@@H]([C@@H](CO)O2)n2cc(nn2)-c2ccc(Cl)cc2)c(=O)[nH]c1=O InChI=1S/C18H18ClN5O4/c1-10-7-23(18(27)20-17(10)26)16-6-14(15(9-25)28-16)24-8-13(21-22-24)11-2-4-12(19)5-3-11/h2-5,7-8,14-16,25H,6,9H2,1H3,(H,20,26,27)/t14-,15+,16-/m0/s1 WWMWBLWTLDFTOG-XHSDSOJGSA-N 50359628 CHEMBL1928437 Thymidylate kinase Mycobacterium tuberculosis 35000 ChEMBL 10.1016/j.bmc.2011.10.021 10.7270/Q2JH3MMD 22061826 Van Poecke, S; Munier-Lehmann, H; Helynck, O; Froeyen, M; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359628&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 57397190 136963652 CHEMBL1928437 ZINC79845833 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50720642 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(Cl)c3)O2)c(=O)[nH]c1=O InChI=1S/C17H18Cl2N4O4S/c1-8-7-23(17(26)22-15(8)25)14-5-12(24)13(27-14)6-20-16(28)21-9-2-3-10(18)11(19)4-9/h2-4,7,12-14,24H,5-6H2,1H3,(H2,20,21,28)(H,22,25,26)/t12-,13+,14-/m0/s1 GARZEPZVYYSFEA-MJBXVCDLSA-N 50223787 CHEMBL235088::N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3,4-dichlorophenyl)thiourea Thymidylate kinase Mycobacterium tuberculosis 1000 ChEMBL 10.1021/jm201349f 10.7270/Q2BZ66HV 22243413 Choi, JY; Plummer, MS; Starr, J; Desbonnet, CR; Soutter, H; Chang, J; Miller, JR; Dillman, K; Miller, AA; Roush, WR Scripps Florida http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223787 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223787&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23636105 104095632 CHEMBL235088 ZINC28864535 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739121 OCc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C10H15N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,11,15,16)(H2,17,18,19)/p-2/t6-,7+,8+/m0/s1 WEBVWKFGRVLCNS-XLPZGREQSA-L 50132286 (R)-5-Hydroxymethyl-1-((4S,5R)-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione Thymidylate kinase Mycobacterium tuberculosis 110000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132286&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44334596 104023305 ZINC13538464 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739122 Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C10H13FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1 UXCAQJAQSWSNPQ-XLPZGREQSA-N 50132287 1-((2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,5R)-4-Fluoro-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::3'-Fluoro-2',3'-dideoxythymidine::Alovudine::CHEMBL105318 Thymidylate kinase Mycobacterium tuberculosis 28000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132287&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 33039 104023306 CHEMBL105318 ZINC01725270 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739123 Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/p-2/t6-,7+,8+/m0/s1 OIFWQOKDSPDILA-XLPZGREQSA-L 50118628 (R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 10000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118628&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 15956520 104011906 ZINC12503817 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739124 Cc1cn([C@@H]2O[C@H](CI)[C@@H](N=[N+]=[N-])[C@H]2O)c(=O)[nH]c1=O InChI=1S/C10H12IN5O4/c1-4-3-16(10(19)13-8(4)18)9-7(17)6(14-15-12)5(2-11)20-9/h3,5-7,9,17H,2H2,1H3,(H,13,18,19)/t5-,6-,7-,9-/m1/s1 BGZQWRRBJIJNFC-JXOAFFINSA-N 50132289 1-((2R,5S)-4-Azido-3-hydroxy-5-iodomethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL102479 Thymidylate kinase Mycobacterium tuberculosis 490000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132289&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 510574 104023308 CHEMBL102479 ZINC13538492 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739125 O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(-c2ccco2)c(=O)[nH]c1=O InChI=1S/C13H15N2O9P/c16-8-4-11(24-10(8)6-23-25(19,20)21)15-5-7(9-2-1-3-22-9)12(17)14-13(15)18/h1-3,5,8,10-11,16H,4,6H2,(H,14,17,18)(H2,19,20,21)/p-2/t8-,10+,11+/m0/s1 WCWKRERVOGCHDN-JMJZKYOTSA-L 50132288 (R)-5-Furan-2-yl-1-((4S,5R)-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione Thymidylate kinase Mycobacterium tuberculosis 140000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132288&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44334353 104023307 ZINC13538467 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739126 Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2Cl)c(=O)[nH]c1=O InChI=1S/C10H14ClN2O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1 ZSKDLXBFUZKPRR-JXOAFFINSA-L 50118625 (R)-1-((R)-3-Chloro-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[4-chloro-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester::[(2R,3R,4R,5R)-4-chloro-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl phosphate Thymidylate kinase Mycobacterium tuberculosis 19000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118625&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 15956517 104011903 ZINC13538479 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739127 Cc1cn([C@H]2C[C@H](N)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4,11H2,1H3,(H,12,14,15)(H2,16,17,18)/p-2/t6-,7+,8+/m0/s1 BQZMHQZNZNBJNF-XLPZGREQSA-L 50118626 (R)-1-((R)-4-Amino-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[3-amino-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 235000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118626&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search NYM 1NMZ,363D 15956514 104011904 ZINC06069512 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739128 Cc1cn([C@@H]2O[C@H](CO)[C@@H](N=C(N)N)[C@H]2O)c(=O)[nH]c1=O InChI=1S/C11H17N5O5/c1-4-2-16(11(20)15-8(4)19)9-7(18)6(14-10(12)13)5(3-17)21-9/h2,5-7,9,17-18H,3H2,1H3,(H4,12,13,14)(H,15,19,20)/t5-,6-,7-,9-/m1/s1 WBXVUUMZCKIHOU-JXOAFFINSA-N 50132290 CHEMBL320200::N-[(2S,5R)-4-Hydroxy-2-hydroxymethyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl]-guanidine Thymidylate kinase Mycobacterium tuberculosis 140000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132290&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 510576 104023309 CHEMBL320200 ZINC13538497 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739129 Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/m1/s1 DWRXFEITVBNRMK-JAGXHNFQSA-N 50132291 1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,3S,5R)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-(beta-D-arabinofuranosyl)thymine::1-beta-D-arabinofuranosylthymine::CHEMBL103283 Thymidylate kinase Mycobacterium tuberculosis 238000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132291&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 65049 104023310 CHEMBL103283 C16744 ZINC05765081 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739131 CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1 XACKNLSZYYIACO-DJLDLDEBSA-N 50132292 5-Ethyl-1-((2R,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione::5-ethyl-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione::5-ethyl-2'-deoxyuridine::CHEMBL318153::Edoxudine::cid_1814::cid_66377 Thymidylate kinase Mycobacterium tuberculosis 1140000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132292&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 66377 104023311 CHEMBL318153 ZINC03956771 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739132 C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1 ZWAOHEXOSAUJHY-ZIYNGMLESA-N 50132295 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl)-5-fluoropyrimidine-2,4(1H,3H)-dione::1-((2R,5R)-3,4-Dihydroxy-5-methyl-tetrahydro-furan-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione::5'-Deoxy-5-Fluorouridine (5'-Dfur)::CHEMBL1130::DOXIFLURIDINE Thymidylate kinase Mycobacterium tuberculosis 560000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132295&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 18343 104023314 31521 CHEMBL1130 C12739 ZINC01319177 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739133 Cc1cn([C@@H]2CO[C@H](COP([O-])([O-])=O)[C@@H](O)C2)c(=O)[nH]c1=O InChI=1S/C11H17N2O8P/c1-6-3-13(11(16)12-10(6)15)7-2-8(14)9(20-4-7)5-21-22(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t7-,8-,9+/m0/s1 CCUHDSVZYOGFIW-XHNCKOQMSA-L 50132293 (R)-1-((S)-5-Hydroxy-6-(R)-5-methylphosphate-tetrahydro-pyran-3-yl)-5-methyl-1H-pyrimidine-2,4-dione Thymidylate kinase Mycobacterium tuberculosis 150000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132293&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44334372 104023312 ZINC13538484 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739134 Cc1cn([C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]c1=O InChI=1S/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1 PYWLBQPICCQJFF-XLPZGREQSA-N 50132297 1-((2R,4S,5R)-5-(aminomethyl)-4-hydroxy-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,5R)-5-Aminomethyl-4-hydroxy-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::5'-AMINO-5'-DEOXYTHYMIDINE::CHEMBL319447 Thymidylate kinase Mycobacterium tuberculosis 12000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132297&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5AT 1C95,1KSE,1ON5 65311 104023316 CHEMBL319447 ZINC05765073 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739135 Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h3,6-8,14H,2,4,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1 ADVCGXWUUOVPPB-XLPZGREQSA-N 50132294 1-((2R,4S,5S)-4-amino-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,5S)-4-Amino-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL103356 Thymidylate kinase Mycobacterium tuberculosis 230000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132294&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 108074 104023313 CHEMBL103356 ZINC06069509 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739136 C[C@@H]1CC[C@@H](O1)n1cc(Br)c(=O)[nH]c1=O InChI=1S/C9H11BrN2O3/c1-5-2-3-7(15-5)12-4-6(10)8(13)11-9(12)14/h4-5,7H,2-3H2,1H3,(H,11,13,14)/t5-,7-/m1/s1 ONVNQSRFNPYKEL-IYSWYEEDSA-N 50132296 5-Bromo-1-((2R,5R)-5-methyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione::CHEMBL102454 Thymidylate kinase Mycobacterium tuberculosis 5000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132296&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44334249 104023315 CHEMBL102454 ZINC13538486 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739137 OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1 VSQQQLOSPVPRAZ-RRKCRQDMSA-N 50132298 1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione::1-((2R,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-trifluoromethyl-1H-pyrimidine-2,4-dione::5-trifluoromethyl-2'-deoxyuridine::CHEMBL1129::TRIFLURIDINE::Trifluoromethyl Deoxyuridine::Viroptic::cid_6256::cid_6708818 Thymidylate kinase Mycobacterium tuberculosis 97000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132298&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 6256 104023317 75179 CHEMBL1129 DB00432 ZINC03842753 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739138 Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2N)c(=O)[nH]c1=O InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3,11H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1 KXDMCBPRFZBEMV-JXOAFFINSA-L 50118624 (R)-1-((R)-3-Amino-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[4-amino-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 120000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118624&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 15956516 104011902 ZINC13538476 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739139 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1 FHIDNBAQOFJWCA-UAKXSSHOSA-N 50132299 1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione::1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-fluoropyrimidine-2,4(1H,3H)-dione::1-((2R,5R)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione::1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione(5F-dUrd)::5-FLUOROURIDINE::CHEMBL54918::cid_1821 Thymidylate kinase Mycobacterium tuberculosis 521000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132299&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5UD 7R9F,1TGV,1RXC,4A7S,4PB2 9427 104023318 40154 CHEMBL54918 DB01629 4614 C16633 ZINC01078624 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739140 Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2F)c(=O)[nH]c1=O InChI=1S/C10H14FN2O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1 XJQFIHYTCPKUTK-JXOAFFINSA-L 50118623 (R)-1-((R)-3-Fluoro-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester::[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl phosphate Thymidylate kinase Mycobacterium tuberculosis 43000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118623&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 15956518 104011901 ZINC13538481 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739141 C[C@H]1O[C@H]([C@H](O)[C@@H]1N)n1cc(C)c(=O)[nH]c1=O InChI=1S/C10H15N3O4/c1-4-3-13(10(16)12-8(4)15)9-7(14)6(11)5(2)17-9/h3,5-7,9,14H,11H2,1-2H3,(H,12,15,16)/t5-,6-,7-,9-/m1/s1 GACITEXDWPETTF-JXOAFFINSA-N 50132301 1-((2R,5R)-4-Amino-3-hydroxy-5-methyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL102768 Thymidylate kinase Mycobacterium tuberculosis 1900000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132301&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 510575 104023320 CHEMBL102768 ZINC13538495 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739143 Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](N)[C@H]2O)c(=O)[nH]c1=O InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)15)9-7(14)6(11)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3,11H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1 BOECYGFZFFYWPU-JXOAFFINSA-L 50118627 (R)-1-((R)-4-Amino-3-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[3-amino-4-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 45000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118627&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 15956515 104011905 ZINC13525778 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739144 Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 HBOMLICNUCNMMY-XLPZGREQSA-N 50002692 (AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::(AZT)1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((2R,4R,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,4S,5S)-4-(diazoamino)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,4S,5S)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((2R,4S,5S)-4-azido-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,5S)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((2S,4R,5R)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (AzddThd, AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (N3ddThd)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione [AZT]::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(3'-azido-2',3'-dideoxythymidine)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(Zidovudine, AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(azidothymidine, AZT)::3'-Azido-3'-deoxy-thymidine::3'-Deoxy-3-azidothymidine::3'-azido-2',3'-dideoxythymidine::3'-azido-thymidine::3'azido-2'3'-dideoxythymidine::3-((2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)triaz-1-en-2-ium-1-ide::4-(4-Azido-5-hydroxy-tetrahydro-furan-2-yl)-5-methyl-3H-pyrazine-2,6-dione::AZT::BW-A-509U::BWA509U::CHEMBL129::Retrovir::US10071110, Compound AZT::US11420959, Example AZT::ZIDOVUDINE::azidothymidine::zidovudin::zudovidine Thymidylate kinase Mycobacterium tuberculosis 28000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002692&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search AZZ 3B9L,3B9M,3BCR,4LHM,2JJ8 35370 103916892 10110 CHEMBL129 DB00495 4825 C07210 ZINC03779042 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739145 O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(-c2cccs2)c(=O)[nH]c1=O InChI=1S/C13H15N2O8PS/c16-8-4-11(23-9(8)6-22-24(19,20)21)15-5-7(10-2-1-3-25-10)12(17)14-13(15)18/h1-3,5,8-9,11,16H,4,6H2,(H,14,17,18)(H2,19,20,21)/p-2/t8-,9+,11+/m0/s1 GZYRNUNJQPETEJ-IQJOONFLSA-L 50132302 (R)-1-((4S,5R)-4-Hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-thiophen-2-yl-1H-pyrimidine-2,4-dione Thymidylate kinase Mycobacterium tuberculosis 270000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132302&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44333959 104023321 ZINC13538470 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739146 O[C@H]1C[C@@H](O[C@@H]1COP([O-])([O-])=O)n1cc(Cc2ccccc2)c(=O)[nH]c1=O InChI=1S/C16H19N2O8P/c19-12-7-14(26-13(12)9-25-27(22,23)24)18-8-11(15(20)17-16(18)21)6-10-4-2-1-3-5-10/h1-5,8,12-14,19H,6-7,9H2,(H,17,20,21)(H2,22,23,24)/p-2/t12-,13+,14+/m0/s1 ZJPWXRDQGVJJPT-BFHYXJOUSA-L 50132304 (R)-5-Benzyl-1-((4S,5R)-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione Thymidylate kinase Mycobacterium tuberculosis 28000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132304&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 15956519 104023323 ZINC13538473 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739147 Cc1cn([C@H]2C[C@H](O)[C@@H](CN=[N+]=[N-])O2)c(=O)[nH]c1=O InChI=1S/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8+/m0/s1 GKEHVJFBPNPCKI-XLPZGREQSA-N 50132305 1-((2R,4S,5R)-5-(azidomethyl)-4-hydroxy-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,5R)-5-Azidomethyl-4-hydroxy-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL102425 Thymidylate kinase Mycobacterium tuberculosis 7000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132305&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 451456 104023324 CHEMBL102425 ZINC06521293 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739148 Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)[nH]c1=O InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6-,7-,9-/m1/s1 GBBJCSTXCAQSSJ-JXOAFFINSA-N 50132306 1-((2R,5R)-3-Fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL105524 Thymidylate kinase Mycobacterium tuberculosis 122000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132306&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 159498 104023325 CHEMBL105524 ZINC06069517 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50739150 CC(=O)NC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O InChI=1S/C12H17N3O5/c1-6-5-15(12(19)14-11(6)18)10-3-8(17)9(20-10)4-13-7(2)16/h5,8-10,17H,3-4H2,1-2H3,(H,13,16)(H,14,18,19)/t8-,9+,10+/m0/s1 LZNCDIRWZZLADL-IVZWLZJFSA-N 50132307 CHEMBL322925::N-[(2R,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl]-acetamide Thymidylate kinase Mycobacterium tuberculosis 90000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132307&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 510573 104023326 CHEMBL322925 ZINC13538489 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813732 Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 HBOMLICNUCNMMY-XLPZGREQSA-N 50002692 (AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::(AZT)1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((2R,4R,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,4S,5S)-4-(diazoamino)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,4S,5S)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((2R,4S,5S)-4-azido-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione::1-((2R,5S)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-((2S,4R,5R)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (AzddThd, AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (N3ddThd)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione [AZT]::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(3'-azido-2',3'-dideoxythymidine)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(Zidovudine, AZT)::1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(azidothymidine, AZT)::3'-Azido-3'-deoxy-thymidine::3'-Deoxy-3-azidothymidine::3'-azido-2',3'-dideoxythymidine::3'-azido-thymidine::3'azido-2'3'-dideoxythymidine::3-((2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)triaz-1-en-2-ium-1-ide::4-(4-Azido-5-hydroxy-tetrahydro-furan-2-yl)-5-methyl-3H-pyrazine-2,6-dione::AZT::BW-A-509U::BWA509U::CHEMBL129::Retrovir::US10071110, Compound AZT::US11420959, Example AZT::ZIDOVUDINE::azidothymidine::zidovudin::zudovidine Thymidylate kinase Mycobacterium tuberculosis 28000 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50002692 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50002692&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search AZZ 3B9L,3B9M,3BCR,4LHM,2JJ8 35370 103916892 10110 CHEMBL129 DB00495 4825 C07210 ZINC03779042 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813734 Cc1cn([C@H]2C[C@H](CN)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C11H17N3O4/c1-6-4-14(11(17)13-10(6)16)9-2-7(3-12)8(5-15)18-9/h4,7-9,15H,2-3,5,12H2,1H3,(H,13,16,17)/t7-,8-,9-/m1/s1 WEMWNHDMPLAIPE-IWSPIJDZSA-N 50131909 1-((2R,4R,5S)-4-aminomethyl-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-(4-Aminomethyl-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL341264 Thymidylate kinase Mycobacterium tuberculosis 57000 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131909&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 508215 104022934 CHEMBL341264 ZINC13525803 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813737 Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 IQFYYKKMVGJFEH-XLPZGREQSA-N 1 dT::thymidine Thymidylate kinase Mycobacterium tuberculosis 27000 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=1 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=1&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search THM 4LCA,4ESH,7PNG,6YAG,4UXI,1RXU,2Z1A,3ROE,7WGW,4OGK,5IDT,1ZMX,4HO8,4HO4,4HO2,1TLW,1P7C,4R8J,2J9R,4HN1,2B8T,2Y1I,2Y1J,7PNE,1E2J,5OGA,1OT3,4ZU5,3N2I,3BCU,3H5Q,8ABD,7X8M,7X8O,7ZEM,7X8N,2QQ0,2QQE,1KIM,1G0R,5BSZ,5ET2,1W2G,4LZW,1H5R,4G8J,1P72,6K8P,2VTK,1P6X,4TXJ,4YEK,5FUV,5FUW,7O1H,4QSV 5789 11108071 17748 4718 C00214 ZINC00025672 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813738 Cc1cn([C@@H]2O[C@H](CO)[C@@H](CN)[C@H]2O)c(=O)[nH]c1=O InChI=1S/C11H17N3O5/c1-5-3-14(11(18)13-9(5)17)10-8(16)6(2-12)7(4-15)19-10/h3,6-8,10,15-16H,2,4,12H2,1H3,(H,13,17,18)/t6-,7-,8-,10-/m1/s1 JYDMCTQCWURNLL-FDDDBJFASA-N 50131911 1-(4-Aminomethyl-3-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL124682 Thymidylate kinase Mycobacterium tuberculosis 393000 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131911&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 508216 104022936 CHEMBL124682 ZINC13525807 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813739 Cc1cn([C@H]2C[C@H](CO)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C11H17N2O8P/c1-6-3-13(11(16)12-10(6)15)9-2-7(4-14)8(21-9)5-20-22(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t7-,8-,9-/m1/s1 PJHBWHSSFZJDCP-IWSPIJDZSA-L 50131910 Phosphoric acid mono-[3-hydroxymethyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 29000 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131910&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 510136 104022935 ZINC13525791 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813740 Cc1cn([C@H]2C[C@H](CF)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C11H16FN2O7P/c1-6-4-14(11(16)13-10(6)15)9-2-7(3-12)8(21-9)5-20-22(17,18)19/h4,7-9H,2-3,5H2,1H3,(H,13,15,16)(H2,17,18,19)/p-2/t7-,8-,9-/m1/s1 FRCFVCUGTVLSMX-IWSPIJDZSA-L 50131912 Phosphoric acid mono-[3-fluoromethyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 15000 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131912&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 510134 104022937 ZINC13525788 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813741 Cc1cn([C@H]2C[C@H](CO)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C11H16N2O5/c1-6-3-13(11(17)12-10(6)16)9-2-7(4-14)8(5-15)18-9/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8-,9-/m1/s1 QWMUYDQSNZFVTG-IWSPIJDZSA-N 50131913 1-(4,5-Bis-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL124260 Thymidylate kinase Mycobacterium tuberculosis 41000 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131913&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 9837976 104022938 CHEMBL124260 ZINC03782484 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813743 Cc1cn([C@H]2C[C@H](CF)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C11H15FN2O4/c1-6-4-14(11(17)13-10(6)16)9-2-7(3-12)8(5-15)18-9/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)/t7-,8-,9-/m1/s1 HCMQGCRWHVEZEP-IWSPIJDZSA-N 50131915 1-(4-Fluoromethyl-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL127523 Thymidylate kinase Mycobacterium tuberculosis 45000 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131915&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 477015 104022940 CHEMBL127523 ZINC06521303 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813745 Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](N)[C@H]2O)c(=O)[nH]c1=O InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)15)9-7(14)6(11)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3,11H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1 BOECYGFZFFYWPU-JXOAFFINSA-L 50118627 (R)-1-((R)-4-Amino-3-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[3-amino-4-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 27000 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118627&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 15956515 104011905 ZINC13525778 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813746 Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C11H15N5O4/c1-6-4-16(11(19)14-10(6)18)9-2-7(3-13-15-12)8(5-17)20-9/h4,7-9,17H,2-3,5H2,1H3,(H,14,18,19)/t7-,8-,9-/m1/s1 SZDHPCIIVLDJJD-IWSPIJDZSA-N 50131908 1-(4-Azidomethyl-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL340604 Thymidylate kinase Mycobacterium tuberculosis 40000 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131908&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 477012 104022933 CHEMBL340604 ZINC03782498 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813747 Cc1cn([C@H]2C[C@H](N)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4,11H2,1H3,(H,12,14,15)(H2,16,17,18)/p-2/t6-,7+,8+/m0/s1 BQZMHQZNZNBJNF-XLPZGREQSA-L 50118626 (R)-1-((R)-4-Amino-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[3-amino-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 235000 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118626&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search NYM 1NMZ,363D 15956514 104011904 ZINC06069512 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813748 Cc1cn([C@H]2C[C@H](CCO)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C12H18N2O5/c1-7-5-14(12(18)13-11(7)17)10-4-8(2-3-15)9(6-16)19-10/h5,8-10,15-16H,2-4,6H2,1H3,(H,13,17,18)/t8-,9+,10+/m0/s1 PCEXIFQLIIHTLM-IVZWLZJFSA-N 50131917 1-[4-(2-Hydroxy-ethyl)-5-hydroxymethyl-tetrahydro-furan-2-yl]-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL124814 Thymidylate kinase Mycobacterium tuberculosis 156000 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131917&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 510142 104022942 CHEMBL124814 ZINC13525810 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813749 Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/p-2/t6-,7+,8+/m0/s1 OIFWQOKDSPDILA-XLPZGREQSA-L 50118628 (R)-1-((R)-4-Azido-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 10000 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118628&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 15956520 104011906 ZINC12503817 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813750 Cc1cn([C@H]2C[C@H](CN)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C11H18N3O7P/c1-6-4-14(11(16)13-10(6)15)9-2-7(3-12)8(21-9)5-20-22(17,18)19/h4,7-9H,2-3,5,12H2,1H3,(H,13,15,16)(H2,17,18,19)/p-2/t7-,8-,9-/m1/s1 PUVBLTZKPNZGIZ-IWSPIJDZSA-L 50131914 Phosphoric acid mono-[3-aminomethyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 10500 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131914&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 510132 104022939 ZINC13525784 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813752 Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](CN)[C@H]2O)c(=O)[nH]c1=O InChI=1S/C11H18N3O8P/c1-5-3-14(11(17)13-9(5)16)10-8(15)6(2-12)7(22-10)4-21-23(18,19)20/h3,6-8,10,15H,2,4,12H2,1H3,(H,13,16,17)(H2,18,19,20)/p-2/t6-,7-,8-,10-/m1/s1 LZJOBHFWZYPRRA-FDDDBJFASA-L 50131907 Phosphoric acid mono-[3-aminomethyl-4-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 315000 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131907&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 510140 104022932 ZINC13525799 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813755 Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C11H16N5O7P/c1-6-4-16(11(18)14-10(6)17)9-2-7(3-13-15-12)8(23-9)5-22-24(19,20)21/h4,7-9H,2-3,5H2,1H3,(H,14,17,18)(H2,19,20,21)/p-2/t7-,8-,9-/m1/s1 RBJFKTLXEOJJBT-IWSPIJDZSA-L 50131916 Phosphoric acid mono-[3-azidomethyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 12000 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131916&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 510130 104022941 ZINC13525781 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813757 Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](CN=[N+]=[N-])[C@H]2O)c(=O)[nH]c1=O InChI=1S/C11H16N5O8P/c1-5-3-16(11(19)14-9(5)18)10-8(17)6(2-13-15-12)7(24-10)4-23-25(20,21)22/h3,6-8,10,17H,2,4H2,1H3,(H,14,18,19)(H2,20,21,22)/p-2/t6-,7-,8-,10-/m1/s1 FROSCFRFIGNCPC-FDDDBJFASA-L 50131918 Phosphoric acid mono-[3-azidomethyl-4-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 116000 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131918&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 510138 104022943 ZINC13525795 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50813758 Cc1cn([C@@H]2O[C@H](CO)[C@@H](CN=[N+]=[N-])[C@H]2O)c(=O)[nH]c1=O InChI=1S/C11H15N5O5/c1-5-3-16(11(20)14-9(5)19)10-8(18)6(2-13-15-12)7(4-17)21-10/h3,6-8,10,17-18H,2,4H2,1H3,(H,14,19,20)/t6-,7-,8-,10-/m1/s1 JSXXEEOHRDWOFK-FDDDBJFASA-N 50131919 1-(4-Azidomethyl-3-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL123912 Thymidylate kinase Mycobacterium tuberculosis 770000 ChEMBL 10.1021/jm021108n 10.7270/Q2MS3TGG 12930144 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Dugue, L; Heyerick, A; De Keukeleire, D; Pochet, S; Busson, R; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131919&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 477014 104022944 CHEMBL123912 ZINC06521397 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831613 Cc1cn(Cc2ccc(CCC(N)=O)cc2)c(=O)[nH]c1=O InChI=1S/C15H17N3O3/c1-10-8-18(15(21)17-14(10)20)9-12-4-2-11(3-5-12)6-7-13(16)19/h2-5,8H,6-7,9H2,1H3,(H2,16,19)(H,17,20,21) CLLRGSOMTDEQRP-UHFFFAOYSA-N 50164407 3-(4-(thymin-1-ylmethyl)phenyl)propionamide::3-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-propionamide::CHEMBL364887 Thymidylate kinase Mycobacterium tuberculosis 110000 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164407 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164407&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276657 104050188 CHEMBL364887 ZINC28471801 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831614 CCOC(=O)CCc1ccc(Cn2cc(C)c(=O)[nH]c2=O)cc1 InChI=1S/C17H20N2O4/c1-3-23-15(20)9-8-13-4-6-14(7-5-13)11-19-10-12(2)16(21)18-17(19)22/h4-7,10H,3,8-9,11H2,1-2H3,(H,18,21,22) VXMNBIKLGAKBQX-UHFFFAOYSA-N 50164406 3-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-propionic acid ethyl ester::CHEMBL191010 Thymidylate kinase Mycobacterium tuberculosis 265000 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164406 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164406&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276671 104050187 CHEMBL191010 ZINC28466857 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831615 Cc1cn(Cc2ccc(Cl)cc2)c(=O)[nH]c1=O InChI=1S/C12H11ClN2O2/c1-8-6-15(12(17)14-11(8)16)7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,16,17) CTWCJFCPDSXELE-UHFFFAOYSA-N 50164408 1-(4-Chloro-benzyl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL190616 Thymidylate kinase Mycobacterium tuberculosis 50000 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164408 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164408&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276663 104050189 CHEMBL190616 ZINC28471794 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831616 Cc1cn(Cc2ccc(F)c(F)c2)c(=O)[nH]c1=O InChI=1S/C12H10F2N2O2/c1-7-5-16(12(18)15-11(7)17)6-8-2-3-9(13)10(14)4-8/h2-5H,6H2,1H3,(H,15,17,18) HQGNIIRBTATAQE-UHFFFAOYSA-N 50164409 1-(3,4-Difluoro-benzyl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL365098 Thymidylate kinase Mycobacterium tuberculosis 67000 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164409 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164409&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276662 104050190 CHEMBL365098 ZINC28471527 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831617 Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 IQFYYKKMVGJFEH-XLPZGREQSA-N 1 dT::thymidine Thymidylate kinase Mycobacterium tuberculosis 27000 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=1 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=1&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search THM 4LCA,4ESH,7PNG,6YAG,4UXI,1RXU,2Z1A,3ROE,7WGW,4OGK,5IDT,1ZMX,4HO8,4HO4,4HO2,1TLW,1P7C,4R8J,2J9R,4HN1,2B8T,2Y1I,2Y1J,7PNE,1E2J,5OGA,1OT3,4ZU5,3N2I,3BCU,3H5Q,8ABD,7X8M,7X8O,7ZEM,7X8N,2QQ0,2QQE,1KIM,1G0R,5BSZ,5ET2,1W2G,4LZW,1H5R,4G8J,1P72,6K8P,2VTK,1P6X,4TXJ,4YEK,5FUV,5FUW,7O1H,4QSV 5789 11108071 17748 4718 C00214 ZINC00025672 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831618 Cc1cn(Cc2ccc(CCC(O)=O)cc2)c(=O)[nH]c1=O InChI=1S/C15H16N2O4/c1-10-8-17(15(21)16-14(10)20)9-12-4-2-11(3-5-12)6-7-13(18)19/h2-5,8H,6-7,9H2,1H3,(H,18,19)(H,16,20,21) TYIOMEAAOWXKBF-UHFFFAOYSA-N 50164411 3-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)propanoic acid::3-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-propionic acid::CHEMBL189636 Thymidylate kinase Mycobacterium tuberculosis 68000 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164411&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276658 104050192 CHEMBL189636 ZINC28471594 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831619 Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O InChI=1S/C12H12N2O2/c1-9-7-14(12(16)13-11(9)15)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,15,16) YNHQGNHVHHZPTA-UHFFFAOYSA-N 50164410 1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL365123 Thymidylate kinase Mycobacterium tuberculosis 75000 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164410 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164410&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 237953 104050191 CHEMBL365123 ZINC00198568 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831620 OC(=O)CCCc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1 InChI=1S/C15H15BrN2O4/c16-12-9-18(15(22)17-14(12)21)8-11-6-4-10(5-7-11)2-1-3-13(19)20/h4-7,9H,1-3,8H2,(H,19,20)(H,17,21,22) ZFEWLYYEONBBQQ-UHFFFAOYSA-N 50164412 4-(5-Bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-butanoic acid::4-[4-(5-Bromo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-butyric acid::CHEMBL189878 Thymidylate kinase Mycobacterium tuberculosis 12300 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164412&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276673 104050193 CHEMBL189878 ZINC28473174 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831621 O=c1[nH]c(=O)n(Cc2ccccc2)cc1C#N InChI=1S/C12H9N3O2/c13-6-10-8-15(12(17)14-11(10)16)7-9-4-2-1-3-5-9/h1-5,8H,7H2,(H,14,16,17) CWPWTXZTZCRWLW-UHFFFAOYSA-N 50164413 1-Benzyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbonitrile::CHEMBL370674 Thymidylate kinase Mycobacterium tuberculosis 980000 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164413&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 2823137 104050194 CHEMBL370674 ZINC00166402 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831622 Cc1cn(Cc2ccc(CCCCCC(O)=O)cc2)c(=O)[nH]c1=O InChI=1S/C18H22N2O4/c1-13-11-20(18(24)19-17(13)23)12-15-9-7-14(8-10-15)5-3-2-4-6-16(21)22/h7-11H,2-6,12H2,1H3,(H,21,22)(H,19,23,24) JAEFDWNQYNAJNM-UHFFFAOYSA-N 50164414 6-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)hexanoic acid::6-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-hexanoic acid::CHEMBL190125 Thymidylate kinase Mycobacterium tuberculosis 32000 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164414 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164414&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276674 104050195 CHEMBL190125 ZINC28470133 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831623 Clc1cccc(Cn2cc(C#N)c(=O)[nH]c2=O)c1 InChI=1S/C12H8ClN3O2/c13-10-3-1-2-8(4-10)6-16-7-9(5-14)11(17)15-12(16)18/h1-4,7H,6H2,(H,15,17,18) UYEFXNGKYQXYMK-UHFFFAOYSA-N 50164415 1-(3-Chloro-benzyl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbonitrile::CHEMBL373302 Thymidylate kinase Mycobacterium tuberculosis 810000 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164415 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164415&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 2823141 104050196 CHEMBL373302 ZINC00171135 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831624 Cc1cn(Cc2cccc(Cl)c2)c(=O)[nH]c1=O InChI=1S/C12H11ClN2O2/c1-8-6-15(12(17)14-11(8)16)7-9-3-2-4-10(13)5-9/h2-6H,7H2,1H3,(H,14,16,17) SDWSLKWSMQEOER-UHFFFAOYSA-N 50164416 1-(3-Chloro-benzyl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL190145 Thymidylate kinase Mycobacterium tuberculosis 44000 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164416 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164416&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276664 104050197 CHEMBL190145 ZINC28471798 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831625 Cc1cn(Cc2ccc(C=CC(N)=O)cc2)c(=O)[nH]c1=O InChI=1S/C15H15N3O3/c1-10-8-18(15(21)17-14(10)20)9-12-4-2-11(3-5-12)6-7-13(16)19/h2-8H,9H2,1H3,(H2,16,19)(H,17,20,21) FMDMDAHYFGGJDW-UHFFFAOYSA-N 50164417 (E)-3-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-acrylamide::3-(4-((5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)phenyl)acrylamide::CHEMBL414848 Thymidylate kinase Mycobacterium tuberculosis 240000 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164417 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164417&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276666 104050198 CHEMBL414848 ZINC28469079 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831626 Cc1cn(Cc2ccc(F)cc2)c(=O)[nH]c1=O InChI=1S/C12H11FN2O2/c1-8-6-15(12(17)14-11(8)16)7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,16,17) AKTFBWCFHDPTKF-UHFFFAOYSA-N 50164418 1-(4-Fluoro-benzyl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL193948 Thymidylate kinase Mycobacterium tuberculosis 45000 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164418 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164418&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276660 104050199 CHEMBL193948 ZINC28474539 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831627 Cc1cn(Cc2cccc(F)c2)c(=O)[nH]c1=O InChI=1S/C12H11FN2O2/c1-8-6-15(12(17)14-11(8)16)7-9-3-2-4-10(13)5-9/h2-6H,7H2,1H3,(H,14,16,17) FAEWBTNEARLWTC-UHFFFAOYSA-N 50164419 1-(3-Fluoro-benzyl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL189491 Thymidylate kinase Mycobacterium tuberculosis 90000 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164419&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276661 104050200 CHEMBL189491 ZINC28471523 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831628 Cc1cn(Cc2ccc(Br)cc2)c(=O)[nH]c1=O InChI=1S/C12H11BrN2O2/c1-8-6-15(12(17)14-11(8)16)7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,16,17) PCEMNJLLHJFLAF-UHFFFAOYSA-N 50164420 1-(4-Bromo-benzyl)-5-methyl-1H-pyrimidine-2,4-dione::1-(4-bromobenzyl)-5-methylpyrimidine-2,4(1H,3H)-dione::CHEMBL189057 Thymidylate kinase Mycobacterium tuberculosis 38000 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164420&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276665 104050201 CHEMBL189057 ZINC28473324 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831629 Brc1cn(Cc2ccccc2)c(=O)[nH]c1=O InChI=1S/C11H9BrN2O2/c12-9-7-14(11(16)13-10(9)15)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15,16) NYNOBRTYKCVRJN-UHFFFAOYSA-N 50164422 1-Benzyl-5-bromo-1H-pyrimidine-2,4-dione::CHEMBL190912 Thymidylate kinase Mycobacterium tuberculosis 44000 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164422&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276659 104050203 CHEMBL190912 ZINC12651315 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50831630 Cc1cn(Cc2ccc(CCCC(O)=O)cc2)c(=O)[nH]c1=O InChI=1S/C16H18N2O4/c1-11-9-18(16(22)17-15(11)21)10-13-7-5-12(6-8-13)3-2-4-14(19)20/h5-9H,2-4,10H2,1H3,(H,19,20)(H,17,21,22) SOMMVIBQUBKMLP-UHFFFAOYSA-N 50164421 4-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H -pyrimidin-1-yl-methyl)-phenyl]-butanoic acid::4-[4-(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl)-phenyl]-butyric acid::CHEMBL193779 Thymidylate kinase Mycobacterium tuberculosis 16500 ChEMBL 10.1021/jm0492296 10.7270/Q27P905B 15801836 Douguet, D; Munier-Lehmann, H; Labesse, G; Pochet, S University of Montpellier http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50164421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50164421&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5276672 104050202 CHEMBL193779 ZINC28475665 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50844080 Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 IQFYYKKMVGJFEH-XLPZGREQSA-N 1 dT::thymidine Thymidylate kinase Mycobacterium tuberculosis 27000 ChEMBL 10.1021/jm040847w 10.7270/Q24M95B1 15566289 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Busson, R; Rozenski, J; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=1 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=1&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search THM 4LCA,4ESH,7PNG,6YAG,4UXI,1RXU,2Z1A,3ROE,7WGW,4OGK,5IDT,1ZMX,4HO8,4HO4,4HO2,1TLW,1P7C,4R8J,2J9R,4HN1,2B8T,2Y1I,2Y1J,7PNE,1E2J,5OGA,1OT3,4ZU5,3N2I,3BCU,3H5Q,8ABD,7X8M,7X8O,7ZEM,7X8N,2QQ0,2QQE,1KIM,1G0R,5BSZ,5ET2,1W2G,4LZW,1H5R,4G8J,1P72,6K8P,2VTK,1P6X,4TXJ,4YEK,5FUV,5FUW,7O1H,4QSV 5789 11108071 17748 4718 C00214 ZINC00025672 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50844081 Cc1cn([C@@H]2O[C@H](CO)[C@@H](CN)[C@H]2Cl)c(=O)[nH]c1=O InChI=1S/C11H16ClN3O4/c1-5-3-15(11(18)14-9(5)17)10-8(12)6(2-13)7(4-16)19-10/h3,6-8,10,16H,2,4,13H2,1H3,(H,14,17,18)/t6-,7-,8-,10-/m1/s1 WIWKWCBEQQDQDJ-FDDDBJFASA-N 50156569 1-[3-aminomethyl-2-chloro-2,3-dideoxy-beta-D-ribofuranosyl]thymine::CHEMBL222242 Thymidylate kinase Mycobacterium tuberculosis 390000 ChEMBL 10.1021/jm040847w 10.7270/Q24M95B1 15566289 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Busson, R; Rozenski, J; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156569&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5273624 104043678 CHEMBL222242 ZINC13585644 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50844082 Cc1cn([C@H]2C[C@H](CNC(=O)N[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C22H30N6O9/c1-10-6-27(21(34)25-18(10)31)16-3-12(14(8-29)36-16)5-23-20(33)24-13-4-17(37-15(13)9-30)28-7-11(2)19(32)26-22(28)35/h6-7,12-17,29-30H,3-5,8-9H2,1-2H3,(H2,23,24,33)(H,25,31,34)(H,26,32,35)/t12-,13+,14-,15-,16-,17-/m1/s1 JHUAVOCVXHCYHK-RNGXCGTMSA-N 50156568 1,3-bis[(3R)-(3'-deoxythymidin-3'-yl)methyl]urea::CHEMBL223779 Thymidylate kinase Mycobacterium tuberculosis 37000 ChEMBL 10.1021/jm040847w 10.7270/Q24M95B1 15566289 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Busson, R; Rozenski, J; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156568 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156568&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44421254 104043677 CHEMBL223779 ZINC28636492 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50844083 Cc1cn([C@@H]2O[C@H](CO)[C@H]3CNC(=S)O[C@@H]23)c(=O)[nH]c1=O InChI=1S/C12H15N3O5S/c1-5-3-15(11(18)14-9(5)17)10-8-6(7(4-16)19-10)2-13-12(21)20-8/h3,6-8,10,16H,2,4H2,1H3,(H,13,21)(H,14,17,18)/t6-,7-,8-,10-/m1/s1 XJOHDYKWJQAIML-FDDDBJFASA-N 50156570 1-[3-aminomethyl-3-deoxy-2-O-,6-N-(thiocarbonyl)-beta-D-ribofuranosyl)thymine::CHEMBL375569 Thymidylate kinase Mycobacterium tuberculosis 3500 ChEMBL 10.1021/jm040847w 10.7270/Q24M95B1 15566289 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Busson, R; Rozenski, J; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156570&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 11483804 104043679 CHEMBL375569 ZINC13585652 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50844084 Cc1cn([C@@H]2C[C@H](CN=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C11H15N5O4/c1-6-4-16(11(19)14-10(6)18)9-2-7(3-13-15-12)8(5-17)20-9/h4,7-9,17H,2-3,5H2,1H3,(H,14,18,19)/t7-,8-,9+/m1/s1 SZDHPCIIVLDJJD-HLTSFMKQSA-N 50156571 1-[3-(azidomethyl)-2,3-dideoxy-alpha-D-erythro-pentofuranosyl]thymine::CHEMBL221894 Thymidylate kinase Mycobacterium tuberculosis 29000 ChEMBL 10.1021/jm040847w 10.7270/Q24M95B1 15566289 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Busson, R; Rozenski, J; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156571&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5273630 104043680 CHEMBL221894 ZINC13585656 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50844086 Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2Cl)c(=O)[nH]c1=O InChI=1S/C10H14ClN2O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1 ZSKDLXBFUZKPRR-JXOAFFINSA-L 50118625 (R)-1-((R)-3-Chloro-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[4-chloro-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester::[(2R,3R,4R,5R)-4-chloro-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl phosphate Thymidylate kinase Mycobacterium tuberculosis 19000 ChEMBL 10.1021/jm040847w 10.7270/Q24M95B1 15566289 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Busson, R; Rozenski, J; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118625&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 15956517 104011903 ZINC13538479 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50844087 Cc1cn([C@@H]2O[C@H](CO)[C@H]3CNC(=O)O[C@@H]23)c(=O)[nH]c1=O InChI=1S/C12H15N3O6/c1-5-3-15(11(18)14-9(5)17)10-8-6(7(4-16)20-10)2-13-12(19)21-8/h3,6-8,10,16H,2,4H2,1H3,(H,13,19)(H,14,17,18)/t6-,7-,8-,10-/m1/s1 OFGVKXRZOCNVEJ-FDDDBJFASA-N 50156573 1-(3-aminomethyl-2-O-,6-N-carbonyl-3-deoxy-beta-D-ribofuranosyl)thymine::CHEMBL222483 Thymidylate kinase Mycobacterium tuberculosis 13500 ChEMBL 10.1021/jm040847w 10.7270/Q24M95B1 15566289 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Busson, R; Rozenski, J; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156573 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156573&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 11162286 104043682 CHEMBL222483 ZINC13585654 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50844090 Cc1cn([C@@H]2O[C@H](CO)[C@@H](CN=[N+]=[N-])[C@H]2F)c(=O)[nH]c1=O InChI=1S/C11H14FN5O4/c1-5-3-17(11(20)15-9(5)19)10-8(12)6(2-14-16-13)7(4-18)21-10/h3,6-8,10,18H,2,4H2,1H3,(H,15,19,20)/t6-,7-,8-,10-/m1/s1 WORYJBRRZBUKMP-FDDDBJFASA-N 50156574 1-(3-azidomethyl-2,3-dideoxy-2-fluoro-beta-D-ribofuranosyl)thymine::CHEMBL223811 Thymidylate kinase Mycobacterium tuberculosis 165000 ChEMBL 10.1021/jm040847w 10.7270/Q24M95B1 15566289 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Busson, R; Rozenski, J; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156574 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156574&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5273625 104043683 CHEMBL223811 ZINC13585646 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50844091 Cc1cn([C@@H]2O[C@H](CO)C(CN=[N+]=[N-])[C@H]2Cl)c(=O)[nH]c1=O InChI=1S/C11H14ClN5O4/c1-5-3-17(11(20)15-9(5)19)10-8(12)6(2-14-16-13)7(4-18)21-10/h3,6-8,10,18H,2,4H2,1H3,(H,15,19,20)/t6?,7-,8-,10-/m1/s1 OFYCGBJTOMQMMB-AEWAJDPZSA-N 50156575 1-(3-azidomethyl-2-chloro-2,3-dideoxy-beta-D-ribofuranosyl)thymine::CHEMBL223135 Thymidylate kinase Mycobacterium tuberculosis 180000 ChEMBL 10.1021/jm040847w 10.7270/Q24M95B1 15566289 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Busson, R; Rozenski, J; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156575 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156575&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44421255 104043684 CHEMBL223135 ZINC28637125 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50844092 Cc1cn([C@@H]2O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]2F)c(=O)[nH]c1=O InChI=1S/C10H14FN2O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/p-2/t5-,6-,7-,9-/m1/s1 XJQFIHYTCPKUTK-JXOAFFINSA-L 50118623 (R)-1-((R)-3-Fluoro-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::Phosphoric acid mono-[4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester::[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methyl phosphate Thymidylate kinase Mycobacterium tuberculosis 43000 ChEMBL 10.1021/jm040847w 10.7270/Q24M95B1 15566289 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Busson, R; Rozenski, J; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50118623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50118623&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 15956518 104011901 ZINC13538481 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50844093 Cc1cn([C@H]2C[C@H](CN)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C11H17N3O4/c1-6-4-14(11(17)13-10(6)16)9-2-7(3-12)8(5-15)18-9/h4,7-9,15H,2-3,5,12H2,1H3,(H,13,16,17)/t7-,8-,9-/m1/s1 WEMWNHDMPLAIPE-IWSPIJDZSA-N 50131909 1-((2R,4R,5S)-4-aminomethyl-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::1-(4-Aminomethyl-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL341264 Thymidylate kinase Mycobacterium tuberculosis 57000 ChEMBL 10.1021/jm040847w 10.7270/Q24M95B1 15566289 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Busson, R; Rozenski, J; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131909&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 508215 104022934 CHEMBL341264 ZINC13525803 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50844095 Cc1cn([C@H]2C[C@H](CN[N+]#N)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C11H15N5O4/c1-6-4-16(11(19)14-10(6)18)9-2-7(3-13-15-12)8(5-17)20-9/h4,7-9,13,17H,2-3,5H2,1H3/p+1/t7-,8-,9-/m1/s1 INHUZXYGEPZFKN-IWSPIJDZSA-O 50156572 1-[3-C-(azido-methyl)-2,3-dideoxy-beta-D-thereo-pentofuranosyl]thymine::CHEMBL222185 Thymidylate kinase Mycobacterium tuberculosis 40000 ChEMBL 10.1021/jm040847w 10.7270/Q24M95B1 15566289 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Busson, R; Rozenski, J; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156572&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 91933148 104043681 CHEMBL222185 ZINC40584529 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50844096 Cc1cn([C@@H]2O[C@H](CF)[C@@H](CN=[N+]=[N-])[C@H]2F)c(=O)[nH]c1=O InChI=1S/C11H13F2N5O3/c1-5-4-18(11(20)16-9(5)19)10-8(13)6(3-15-17-14)7(2-12)21-10/h4,6-8,10H,2-3H2,1H3,(H,16,19,20)/t6-,7-,8-,10-/m1/s1 OXUAVNYDCXRONO-FDDDBJFASA-N 50156576 1-(3-azidomethyl-2,5-difluoro-2,3,5-trideoxy-beta-D-ribofuranosyl)thymine::CHEMBL222970 Thymidylate kinase Mycobacterium tuberculosis 80000 ChEMBL 10.1021/jm040847w 10.7270/Q24M95B1 15566289 Vanheusden, V; Munier-Lehmann, H; Froeyen, M; Busson, R; Rozenski, J; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156576 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156576&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5273627 104043685 CHEMBL222970 ZINC13585650 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51043485 Cc1cn([C@H]2C[C@H](CN)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C11H18N3O7P/c1-6-4-14(11(16)13-10(6)15)9-2-7(3-12)8(21-9)5-20-22(17,18)19/h4,7-9H,2-3,5,12H2,1H3,(H,13,15,16)(H2,17,18,19)/p-2/t7-,8-,9-/m1/s1 PUVBLTZKPNZGIZ-IWSPIJDZSA-L 50131914 Phosphoric acid mono-[3-aminomethyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 10500 ChEMBL 10.1016/j.ejmech.2012.12.012 10.7270/Q2DZ09MS 23314046 Koseki, Y; Kinjo, T; Kobayashi, M; Aoki, S Kyushu Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131914&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 510132 104022939 ZINC13525784 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51043486 Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C11H16N5O7P/c1-6-4-16(11(18)14-10(6)17)9-2-7(3-13-15-12)8(23-9)5-22-24(19,20)21/h4,7-9H,2-3,5H2,1H3,(H,14,17,18)(H2,19,20,21)/p-2/t7-,8-,9-/m1/s1 RBJFKTLXEOJJBT-IWSPIJDZSA-L 50131916 Phosphoric acid mono-[3-azidomethyl-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester Thymidylate kinase Mycobacterium tuberculosis 10000 ChEMBL 10.1016/j.ejmech.2012.12.012 10.7270/Q2DZ09MS 23314046 Koseki, Y; Kinjo, T; Kobayashi, M; Aoki, S Kyushu Institute of Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131916&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 510130 104022941 ZINC13525781 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51039233 OCc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O InChI=1S/C10H15N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,11,15,16)(H2,17,18,19)/p-2/t6-,7+,8+/m0/s1 WEBVWKFGRVLCNS-XLPZGREQSA-L 50132286 (R)-5-Hydroxymethyl-1-((4S,5R)-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione Thymidylate kinase Mycobacterium tuberculosis 110000 ChEMBL 10.1016/j.bmc.2012.10.018 10.7270/Q2GB25BQ 23199481 Toti, KS; Verbeke, F; Risseeuw, MD; Frecer, V; Munier-Lehmann, H; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50132286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50132286&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 44334596 104023305 ZINC13538464 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51039234 Cc1cn([C@H]2C[C@H](O)[C@@H](CCc3nnn[nH]3)O2)c(=O)[nH]c1=O InChI=1S/C12H16N6O4/c1-6-5-18(12(21)13-11(6)20)10-4-7(19)8(22-10)2-3-9-14-16-17-15-9/h5,7-8,10,19H,2-4H2,1H3,(H,13,20,21)(H,14,15,16,17)/t7-,8+,10+/m0/s1 GMCVBQOEIVKWDQ-QXFUBDJGSA-N 50424078 CHEMBL2314751 Thymidylate kinase Mycobacterium tuberculosis 70000 ChEMBL 10.1016/j.bmc.2012.10.018 10.7270/Q2GB25BQ 23199481 Toti, KS; Verbeke, F; Risseeuw, MD; Frecer, V; Munier-Lehmann, H; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424078&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 71508269 164152953 CHEMBL2314751 ZINC95597948 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51039235 Cc1cn([C@H]2C[C@H](O)[C@@H](CCC#N)O2)c(=O)[nH]c1=O InChI=1S/C12H15N3O4/c1-7-6-15(12(18)14-11(7)17)10-5-8(16)9(19-10)3-2-4-13/h6,8-10,16H,2-3,5H2,1H3,(H,14,17,18)/t8-,9+,10+/m0/s1 JQHHUQNGWSTPFX-IVZWLZJFSA-N 50424079 CHEMBL2314750 Thymidylate kinase Mycobacterium tuberculosis 48000 ChEMBL 10.1016/j.bmc.2012.10.018 10.7270/Q2GB25BQ 23199481 Toti, KS; Verbeke, F; Risseeuw, MD; Frecer, V; Munier-Lehmann, H; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424079&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 71508268 164152954 CHEMBL2314750 ZINC95593163 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51039237 Cc1cn([C@H]2C[C@H](O)[C@@H](CCS(C)(=O)=O)O2)c(=O)[nH]c1=O InChI=1S/C12H18N2O6S/c1-7-6-14(12(17)13-11(7)16)10-5-8(15)9(20-10)3-4-21(2,18)19/h6,8-10,15H,3-5H2,1-2H3,(H,13,16,17)/t8-,9+,10+/m0/s1 FWRDYLCARCMUGG-IVZWLZJFSA-N 50424081 CHEMBL2314748 Thymidylate kinase Mycobacterium tuberculosis 340000 ChEMBL 10.1016/j.bmc.2012.10.018 10.7270/Q2GB25BQ 23199481 Toti, KS; Verbeke, F; Risseeuw, MD; Frecer, V; Munier-Lehmann, H; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424081&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 71508217 164152956 CHEMBL2314748 ZINC95596001 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51039238 Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=S InChI=1S/C18H18ClF3N4O3S2/c1-8-7-26(17(28)25-15(8)30)14-5-12(27)13(29-14)6-23-16(31)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,31)(H,25,28,30)/t12-,13+,14-/m0/s1 ZOSAVGSYBNMSTG-MJBXVCDLSA-N 50359625 CHEMBL1928435 Thymidylate kinase Mycobacterium tuberculosis 170 ChEMBL 10.1016/j.bmc.2012.10.018 10.7270/Q2GB25BQ 23199481 Toti, KS; Verbeke, F; Risseeuw, MD; Frecer, V; Munier-Lehmann, H; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359625&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 56656556 136963649 CHEMBL1928435 ZINC82153979 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51039239 Cc1cn([C@@H]2O[C@H](CO)[C@H]3CNC(=S)O[C@@H]23)c(=O)[nH]c1=O InChI=1S/C12H15N3O5S/c1-5-3-15(11(18)14-9(5)17)10-8-6(7(4-16)19-10)2-13-12(21)20-8/h3,6-8,10,16H,2,4H2,1H3,(H,13,21)(H,14,17,18)/t6-,7-,8-,10-/m1/s1 XJOHDYKWJQAIML-FDDDBJFASA-N 50156570 1-[3-aminomethyl-3-deoxy-2-O-,6-N-(thiocarbonyl)-beta-D-ribofuranosyl)thymine::CHEMBL375569 Thymidylate kinase Mycobacterium tuberculosis 3500 ChEMBL 10.1016/j.bmc.2012.10.018 10.7270/Q2GB25BQ 23199481 Toti, KS; Verbeke, F; Risseeuw, MD; Frecer, V; Munier-Lehmann, H; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156570&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 11483804 104043679 CHEMBL375569 ZINC13585652 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51039236 CNS(=O)(=O)CC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O InChI=1S/C12H19N3O6S/c1-7-6-15(12(18)14-11(7)17)10-5-8(16)9(21-10)3-4-22(19,20)13-2/h6,8-10,13,16H,3-5H2,1-2H3,(H,14,17,18)/t8-,9+,10+/m0/s1 KMGCQWGYMHMKEX-IVZWLZJFSA-N 50424080 CHEMBL2314749 Thymidylate kinase Mycobacterium tuberculosis 240000 ChEMBL 10.1016/j.bmc.2012.10.018 10.7270/Q2GB25BQ 23199481 Toti, KS; Verbeke, F; Risseeuw, MD; Frecer, V; Munier-Lehmann, H; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50424080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50424080&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 71508267 164152955 CHEMBL2314749 ZINC95595678 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 50590665 Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 IQFYYKKMVGJFEH-XLPZGREQSA-N 1 dT::thymidine Thymidylate kinase Mycobacterium tuberculosis 27000 ChEMBL 10.1016/s0960-894x(03)00643-7 10.7270/Q237798X 12941330 Vanheusden, V; Van Rompaey, P; Munier-Lehmann, H; Pochet, S; Herdewijn, P; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=1 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=1&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search THM 4LCA,4ESH,7PNG,6YAG,4UXI,1RXU,2Z1A,3ROE,7WGW,4OGK,5IDT,1ZMX,4HO8,4HO4,4HO2,1TLW,1P7C,4R8J,2J9R,4HN1,2B8T,2Y1I,2Y1J,7PNE,1E2J,5OGA,1OT3,4ZU5,3N2I,3BCU,3H5Q,8ABD,7X8M,7X8O,7ZEM,7X8N,2QQ0,2QQE,1KIM,1G0R,5BSZ,5ET2,1W2G,4LZW,1H5R,4G8J,1P72,6K8P,2VTK,1P6X,4TXJ,4YEK,5FUV,5FUW,7O1H,4QSV 5789 11108071 17748 4718 C00214 ZINC00025672 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211938 CSc1cc(nc(O)c1C#N)-c1ccccc1 InChI=1S/C13H10N2OS/c1-17-12-7-11(9-5-3-2-4-6-9)15-13(16)10(12)8-14/h2-7H,1H3,(H,15,16) LMJDNUBVFKYAGS-UHFFFAOYSA-N 50498054 CHEMBL1477426 Thymidylate kinase Mycobacterium tuberculosis 1900 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498054&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 1471774 433965319 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211939 CSc1cc([nH]c(=O)c1C#N)-c1cccs1 InChI=1S/C11H8N2OS2/c1-15-10-5-8(9-3-2-4-16-9)13-11(14)7(10)6-12/h2-5H,1H3,(H,13,14) AFXHPAQWPHPFBJ-UHFFFAOYSA-N 50498055 CHEMBL3394145 Thymidylate kinase Mycobacterium tuberculosis 3600 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498055&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 2743463 433965320 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211940 CCc1cc2[nH]c(=O)c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)c2c(C)n1 InChI=1S/C19H18N4O3S/c1-4-13-9-16-17(11(2)21-13)18(15(10-20)19(24)22-16)12-5-7-14(8-6-12)23-27(3,25)26/h5-9,23H,4H2,1-3H3,(H,22,24) RGARWRHBMWUMJL-UHFFFAOYSA-N 50498056 CHEMBL3394242 Thymidylate kinase Mycobacterium tuberculosis 200 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498056&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search QZ3 4UNS 91801130 433965321 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211941 CCNC(=O)Nc1ccc(cc1)-c1c2CCc3c(OC)cccc3-c2[nH]c(=O)c1C#N InChI=1S/C24H22N4O3/c1-3-26-24(30)27-15-9-7-14(8-10-15)21-18-12-11-16-17(5-4-6-20(16)31-2)22(18)28-23(29)19(21)13-25/h4-10H,3,11-12H2,1-2H3,(H,28,29)(H2,26,27,30) JPYZWLMQPAKZJQ-UHFFFAOYSA-N 50498057 CHEMBL3394235 Thymidylate kinase Mycobacterium tuberculosis 17 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498057&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725980 433965322 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211942 COc1cccc(c1)-c1cc(-c2ccc(N)cc2)c(C#N)c(=O)[nH]1 InChI=1S/C19H15N3O2/c1-24-15-4-2-3-13(9-15)18-10-16(17(11-20)19(23)22-18)12-5-7-14(21)8-6-12/h2-10H,21H2,1H3,(H,22,23) DIIXOAUZYYOLKB-UHFFFAOYSA-N 50498058 CHEMBL3394153 Thymidylate kinase Mycobacterium tuberculosis 1010 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498058&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725938 433965323 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211943 CC(C)c1ccc(COc2cccc(c2)-c2cc([S+](C)[O-])c(C#N)c(=O)[nH]2)cc1 InChI=1S/C23H22N2O3S/c1-15(2)17-9-7-16(8-10-17)14-28-19-6-4-5-18(11-19)21-12-22(29(3)27)20(13-24)23(26)25-21/h4-12,15H,14H2,1-3H3,(H,25,26) ZETCXKVUHXHOLJ-UHFFFAOYSA-N 50498059 CHEMBL3394250 Thymidylate kinase Mycobacterium tuberculosis 32 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498059&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725992 433965324 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211944 CS(=O)(=O)c1cc([nH]c(=O)c1C#N)-c1cccc(OCc2cccc(Cl)c2)c1 InChI=1S/C20H15ClN2O4S/c1-28(25,26)19-10-18(23-20(24)17(19)11-22)14-5-3-7-16(9-14)27-12-13-4-2-6-15(21)8-13/h2-10H,12H2,1H3,(H,23,24) PWYFUIDWXINIRW-UHFFFAOYSA-N 50498060 CHEMBL3394249 Thymidylate kinase Mycobacterium tuberculosis 22 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498060&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725991 433965325 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211945 CS(=O)(=O)c1cc([nH]c(=O)c1C#N)-c1cccc(Br)c1 InChI=1S/C13H9BrN2O3S/c1-20(18,19)12-6-11(16-13(17)10(12)7-15)8-3-2-4-9(14)5-8/h2-6H,1H3,(H,16,17) RRZXDOWHYBZEHD-UHFFFAOYSA-N 50498061 CHEMBL3394247 Thymidylate kinase Mycobacterium tuberculosis 100 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498061&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725989 433965326 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211946 C[S+]([O-])c1cc([nH]c(=O)c1C#N)-c1cccc(Br)c1 InChI=1S/C13H9BrN2O2S/c1-19(18)12-6-11(16-13(17)10(12)7-15)8-3-2-4-9(14)5-8/h2-6H,1H3,(H,16,17) QETJHOPFWPBRAB-UHFFFAOYSA-N 50498062 CHEMBL3394246 Thymidylate kinase Mycobacterium tuberculosis 140 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498062&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725988 433965327 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211947 C[S+]([O-])c1cc([nH]c(=O)c1C#N)-c1cccs1 InChI=1S/C11H8N2O2S2/c1-17(15)10-5-8(9-3-2-4-16-9)13-11(14)7(10)6-12/h2-5H,1H3,(H,13,14) MYKFCCHXBHMPNN-UHFFFAOYSA-N 50498063 CHEMBL3394244 Thymidylate kinase Mycobacterium tuberculosis 820 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498063&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725986 433965328 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211948 CCCc1cc2[nH]c(=O)c(C#N)c(-c3ccc(NS(C)(=O)=O)cc3)c2c(C)n1 InChI=1S/C20H20N4O3S/c1-4-5-15-10-17-18(12(2)22-15)19(16(11-21)20(25)23-17)13-6-8-14(9-7-13)24-28(3,26)27/h6-10,24H,4-5H2,1-3H3,(H,23,25) ZQBJSRCVXLXUFO-UHFFFAOYSA-N 50498064 CHEMBL3394243 Thymidylate kinase Mycobacterium tuberculosis 2100 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498064&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725985 433965329 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211949 CCCc1cc2[nH]c(=O)c(C#N)c(-c3ccccc3)c2c(C)n1 InChI=1S/C19H17N3O/c1-3-7-14-10-16-17(12(2)21-14)18(13-8-5-4-6-9-13)15(11-20)19(23)22-16/h4-6,8-10H,3,7H2,1-2H3,(H,22,23) OLPZGQCMZDZABH-UHFFFAOYSA-N 50498065 CHEMBL3394241 Thymidylate kinase Mycobacterium tuberculosis 1000 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498065&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725984 433965330 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211950 Cc1nccc2nc(O)c(cc12)C#N InChI=1S/C10H7N3O/c1-6-8-4-7(5-11)10(14)13-9(8)2-3-12-6/h2-4H,1H3,(H,13,14) AYUPZBQOTRFJQK-UHFFFAOYSA-N 50498066 CHEMBL356501 Thymidylate kinase Mycobacterium tuberculosis 634000 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498066&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5713068 433965331 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211951 CCCc1cc2[nH]c(=O)ccc2c(C)n1 InChI=1S/C12H14N2O/c1-3-4-9-7-11-10(8(2)13-9)5-6-12(15)14-11/h5-7H,3-4H2,1-2H3,(H,14,15) GNDSCMXBXGHCIV-UHFFFAOYSA-N 50498067 CHEMBL3394238 Thymidylate kinase Mycobacterium tuberculosis 590000 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498067&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search TXW 4UNP 19093772 433965332 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211952 CC(C)c1ccc(COc2cccc-3c2CCc2c-3[nH]c(=O)c(C#N)c2-c2ccc(cc2)C(O)=O)cc1 InChI=1S/C31H26N2O4/c1-18(2)20-8-6-19(7-9-20)17-37-27-5-3-4-24-23(27)14-15-25-28(26(16-32)30(34)33-29(24)25)21-10-12-22(13-11-21)31(35)36/h3-13,18H,14-15,17H2,1-2H3,(H,33,34)(H,35,36) CFDCPGFHQPXLKO-UHFFFAOYSA-N 50498068 CHEMBL3394234 Thymidylate kinase Mycobacterium tuberculosis 1.000000 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498068&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725979 433965333 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211953 OC(=O)c1ccc(cc1)-c1c2CCc3c(cccc3-c2[nH]c(=O)c1C#N)-c1cn[nH]c1 InChI=1S/C24H16N4O3/c25-10-20-21(13-4-6-14(7-5-13)24(30)31)19-9-8-17-16(15-11-26-27-12-15)2-1-3-18(17)22(19)28-23(20)29/h1-7,11-12H,8-9H2,(H,26,27)(H,28,29)(H,30,31) STALUGJGAYBZIU-UHFFFAOYSA-N 50498069 CHEMBL3394233 Thymidylate kinase Mycobacterium tuberculosis 2.0 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498069&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search QZE 4UNR 91801128 433965334 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211954 OC(=O)c1ccc(cc1)-c1c2CCc3c(O)cccc3-c2[nH]c(=O)c1C#N InChI=1S/C21H14N2O4/c22-10-16-18(11-4-6-12(7-5-11)21(26)27)15-9-8-13-14(2-1-3-17(13)24)19(15)23-20(16)25/h1-7,24H,8-9H2,(H,23,25)(H,26,27) UYJHHIPEOCYAED-UHFFFAOYSA-N 50498070 CHEMBL3394163 Thymidylate kinase Mycobacterium tuberculosis 3.0 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498070&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725947 433965335 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211955 CSc1cc(oc(=O)c1C#N)-c1cccs1 InChI=1S/C11H7NO2S2/c1-15-10-5-8(9-3-2-4-16-9)14-11(13)7(10)6-12/h2-5H,1H3 SUSMGQGDFSRWKY-UHFFFAOYSA-N 50498071 CHEMBL110569 Thymidylate kinase Mycobacterium tuberculosis >50000 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498071&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 10890299 433965336 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211956 COc1cccc(c1)-c1nc(SC)c(C#N)c(=O)[nH]1 InChI=1S/C13H11N3O2S/c1-18-9-5-3-4-8(6-9)11-15-12(17)10(7-14)13(16-11)19-2/h3-6H,1-2H3,(H,15,16,17) VSVAIUKHFKSTIR-UHFFFAOYSA-N 50498072 CHEMBL3394158 Thymidylate kinase Mycobacterium tuberculosis 8000 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498072&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725942 433965337 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211957 COc1cccc(c1)-c1cc(-c2ccc(NC(C)=O)cc2)c(C#N)c(=O)[nH]1 InChI=1S/C21H17N3O3/c1-13(25)23-16-8-6-14(7-9-16)18-11-20(24-21(26)19(18)12-22)15-4-3-5-17(10-15)27-2/h3-11H,1-2H3,(H,23,25)(H,24,26) SLZNDCNKKFZQMN-UHFFFAOYSA-N 50498073 CHEMBL3394157 Thymidylate kinase Mycobacterium tuberculosis 430 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498073&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725941 433965338 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211958 CCNC(=O)Nc1ccc(cc1)-c1cc([nH]c(=O)c1C#N)-c1cccc(OC)c1 InChI=1S/C22H20N4O3/c1-3-24-22(28)25-16-9-7-14(8-10-16)18-12-20(26-21(27)19(18)13-23)15-5-4-6-17(11-15)29-2/h4-12H,3H2,1-2H3,(H,26,27)(H2,24,25,28) YOURKDRSECYPCZ-UHFFFAOYSA-N 50498074 CHEMBL3394155 Thymidylate kinase Mycobacterium tuberculosis 250 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498074&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725940 433965339 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211959 CSc1cc([nH]c(=O)c1C#N)-c1ccccn1 InChI=1S/C12H9N3OS/c1-17-11-6-10(9-4-2-3-5-14-9)15-12(16)8(11)7-13/h2-6H,1H3,(H,15,16) CZQYFHRTDLTZIH-UHFFFAOYSA-N 50498075 CHEMBL3394150 Thymidylate kinase Mycobacterium tuberculosis 18000 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498075&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 101455744 433965340 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211960 COc1ccc(cc1)-c1cc(SC)c(C#N)c(=O)[nH]1 InChI=1S/C14H12N2O2S/c1-18-10-5-3-9(4-6-10)12-7-13(19-2)11(8-15)14(17)16-12/h3-7H,1-2H3,(H,16,17) ZUZDXXHSEMWLSJ-UHFFFAOYSA-N 50498076 CHEMBL3394149 Thymidylate kinase Mycobacterium tuberculosis 7700 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498076&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 12230213 433965341 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211961 COc1cccc(c1)-c1cc(SC)c(C#N)c(=O)[nH]1 InChI=1S/C14H12N2O2S/c1-18-10-5-3-4-9(6-10)12-7-13(19-2)11(8-15)14(17)16-12/h3-7H,1-2H3,(H,16,17) TUVARXJSYRADOF-UHFFFAOYSA-N 50498077 CHEMBL3394148 Thymidylate kinase Mycobacterium tuberculosis 1500 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498077&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725936 433965342 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211962 CSc1cc([nH]c(=O)c1C#N)-c1cccc(Cl)c1 InChI=1S/C13H9ClN2OS/c1-18-12-6-11(16-13(17)10(12)7-15)8-3-2-4-9(14)5-8/h2-6H,1H3,(H,16,17) LBQTWIRKFMTMEY-UHFFFAOYSA-N 50498078 CHEMBL3394146 Thymidylate kinase Mycobacterium tuberculosis 1900 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498078&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725935 433965343 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211963 CC(C)CCOc1cccc(c1)-c1cc([S+](C)[O-])c(C#N)c(=O)[nH]1 InChI=1S/C18H20N2O3S/c1-12(2)7-8-23-14-6-4-5-13(9-14)16-10-17(24(3)22)15(11-19)18(21)20-16/h4-6,9-10,12H,7-8H2,1-3H3,(H,20,21) BYBQJGHUMXCMLD-UHFFFAOYSA-N 50498079 CHEMBL3394248 Thymidylate kinase Mycobacterium tuberculosis 330 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498079&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725990 433965344 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211964 C[S+]([O-])c1cc([nH]c(=O)c1C#N)-c1cccc(OC(F)(F)F)c1 InChI=1S/C14H9F3N2O3S/c1-23(21)12-6-11(19-13(20)10(12)7-18)8-3-2-4-9(5-8)22-14(15,16)17/h2-6H,1H3,(H,19,20) LDLFTWUQLJNHAW-UHFFFAOYSA-N 50498080 CHEMBL3394245 Thymidylate kinase Mycobacterium tuberculosis 240 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498080&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725987 433965345 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211965 CCc1cc2[nH]c(=O)c(C)c(C)c2c(CC)n1 InChI=1S/C14H18N2O/c1-5-10-7-12-13(11(6-2)15-10)8(3)9(4)14(17)16-12/h7H,5-6H2,1-4H3,(H,16,17) GQEYXAQYANYHRF-UHFFFAOYSA-N 50498081 CHEMBL3394239 Thymidylate kinase Mycobacterium tuberculosis 133000 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498081&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 19093685 433965346 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211966 CS(=O)(=O)NC(=O)c1ccc(cc1)-c1c2COc3ccccc3-c2[nH]c(=O)c1C#N InChI=1S/C21H15N3O5S/c1-30(27,28)24-20(25)13-8-6-12(7-9-13)18-15(10-22)21(26)23-19-14-4-2-3-5-17(14)29-11-16(18)19/h2-9H,11H2,1H3,(H,23,26)(H,24,25) BGPXLNXNQKIVOA-UHFFFAOYSA-N 50498082 CHEMBL3394237 Thymidylate kinase Mycobacterium tuberculosis 5.0 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498082&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725982 433965347 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211967 CSc1cc([nH]c(=O)c1C(N)=O)-c1cccc(Cl)c1 InChI=1S/C13H11ClN2O2S/c1-19-10-6-9(7-3-2-4-8(14)5-7)16-13(18)11(10)12(15)17/h2-6H,1H3,(H2,15,17)(H,16,18) MQEPDNIGUWDLHF-UHFFFAOYSA-N 50498083 CHEMBL3394159 Thymidylate kinase Mycobacterium tuberculosis 14300 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498083&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725943 433965348 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211968 COc1cccc(c1)-c1cc(-c2cccnc2)c(C#N)c(=O)[nH]1 InChI=1S/C18H13N3O2/c1-23-14-6-2-4-12(8-14)17-9-15(13-5-3-7-20-11-13)16(10-19)18(22)21-17/h2-9,11H,1H3,(H,21,22) ISBIZBWNJJCIBG-UHFFFAOYSA-N 50498084 CHEMBL3394156 Thymidylate kinase Mycobacterium tuberculosis 2630 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498084&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 19656784 433965349 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211969 COc1cccc(c1)-c1cc(-c2ccc(cc2)C(O)=O)c(C#N)c(=O)[nH]1 InChI=1S/C20H14N2O4/c1-26-15-4-2-3-14(9-15)18-10-16(17(11-21)19(23)22-18)12-5-7-13(8-6-12)20(24)25/h2-10H,1H3,(H,22,23)(H,24,25) DYVOFZNYRIDQOP-UHFFFAOYSA-N 50498085 CHEMBL3394151 Thymidylate kinase Mycobacterium tuberculosis 420 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498085&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search QZZ 4UNN 91801127 433965350 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211970 COc1ccccc1-c1cc(SC)c(C#N)c(=O)[nH]1 InChI=1S/C14H12N2O2S/c1-18-12-6-4-3-5-9(12)11-7-13(19-2)10(8-15)14(17)16-11/h3-7H,1-2H3,(H,16,17) NIKCWUVRVGVJGM-UHFFFAOYSA-N 50498086 CHEMBL3394147 Thymidylate kinase Mycobacterium tuberculosis >50000 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498086&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 12412402 433965351 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211971 CS(=O)(=O)c1cc([nH]c(=O)c1)-c1cccc(Br)c1 InChI=1S/C12H10BrNO3S/c1-18(16,17)10-6-11(14-12(15)7-10)8-3-2-4-9(13)5-8/h2-7H,1H3,(H,14,15) OHJLDSMCXSQARJ-UHFFFAOYSA-N 50498087 CHEMBL3394251 Thymidylate kinase Mycobacterium tuberculosis >25000 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498087&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725993 433965352 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211972 CCc1cc2[nH]c(=O)c(C#N)c(-c3ccccc3)c2c(C)n1 InChI=1S/C18H15N3O/c1-3-13-9-15-16(11(2)20-13)17(12-7-5-4-6-8-12)14(10-19)18(22)21-15/h4-9H,3H2,1-2H3,(H,21,22) GYXLBWVHVXPVPV-UHFFFAOYSA-N 50498088 CHEMBL3394240 Thymidylate kinase Mycobacterium tuberculosis 350 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498088&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725983 433965353 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211973 OC(=O)c1ccc(cc1)-c1c2CCc3ccccc3-c2[nH]c(=O)c1C#N InChI=1S/C21H14N2O3/c22-11-17-18(13-5-7-14(8-6-13)21(25)26)16-10-9-12-3-1-2-4-15(12)19(16)23-20(17)24/h1-8H,9-10H2,(H,23,24)(H,25,26) CLJAYBXOEWGNQT-UHFFFAOYSA-N 50498089 CHEMBL3394162 Thymidylate kinase Mycobacterium tuberculosis 6.0 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498089&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725946 433965354 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211974 CC(C)c1ccc(COc2cccc(c2)-c2cc(-c3ccc(cc3)C(O)=O)c(C#N)c(=O)[nH]2)cc1 InChI=1S/C29H24N2O4/c1-18(2)20-8-6-19(7-9-20)17-35-24-5-3-4-23(14-24)27-15-25(26(16-30)28(32)31-27)21-10-12-22(13-11-21)29(33)34/h3-15,18H,17H2,1-2H3,(H,31,32)(H,33,34) VVPXXOMUMINAKV-UHFFFAOYSA-N 50498090 CHEMBL3394161 Thymidylate kinase Mycobacterium tuberculosis 6.0 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498090&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725945 433965355 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211975 COc1cccc(c1)-c1cc(c(C)c(=O)[nH]1)-c1ccc(cc1)C(O)=O InChI=1S/C20H17NO4/c1-12-17(13-6-8-14(9-7-13)20(23)24)11-18(21-19(12)22)15-4-3-5-16(10-15)25-2/h3-11H,1-2H3,(H,21,22)(H,23,24) UTDRAVLSXNAKDP-UHFFFAOYSA-N 50498091 CHEMBL3394160 Thymidylate kinase Mycobacterium tuberculosis 1200 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498091&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725944 433965356 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211976 CS(=O)(=O)c1c2COc3ccccc3-c2[nH]c(=O)c1C#N InChI=1S/C14H10N2O4S/c1-21(18,19)13-9(6-15)14(17)16-12-8-4-2-3-5-11(8)20-7-10(12)13/h2-5H,7H2,1H3,(H,16,17) PRPIBIZXJYYOPY-UHFFFAOYSA-N 50498092 CHEMBL3394252 Thymidylate kinase Mycobacterium tuberculosis 30000 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498092&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725994 433965357 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211977 O=C(NS(=O)(=O)c1ccccc1)c1ccc(cc1)-c1c2COc3ccccc3-c2[nH]c(=O)c1C#N InChI=1S/C26H17N3O5S/c27-14-20-23(21-15-34-22-9-5-4-8-19(22)24(21)28-26(20)31)16-10-12-17(13-11-16)25(30)29-35(32,33)18-6-2-1-3-7-18/h1-13H,15H2,(H,28,31)(H,29,30) HZKUYXWZDVIXQH-UHFFFAOYSA-N 50498093 CHEMBL3394236 Thymidylate kinase Mycobacterium tuberculosis 2.0 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498093&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725981 433965358 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211978 COc1cccc(c1)-c1cc(-c2cccc(N)c2)c(C#N)c(=O)[nH]1 InChI=1S/C19H15N3O2/c1-24-15-7-3-5-13(9-15)18-10-16(17(11-20)19(23)22-18)12-4-2-6-14(21)8-12/h2-10H,21H2,1H3,(H,22,23) QBRRELDRSUBUHI-UHFFFAOYSA-N 50498094 CHEMBL3394154 Thymidylate kinase Mycobacterium tuberculosis 1200 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498094&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725939 433965359 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211979 COc1cccc(c1)-c1cc(-c2cccc(c2)C(O)=O)c(C#N)c(=O)[nH]1 InChI=1S/C20H14N2O4/c1-26-15-7-3-5-13(9-15)18-10-16(17(11-21)19(23)22-18)12-4-2-6-14(8-12)20(24)25/h2-10H,1H3,(H,22,23)(H,24,25) PKCVQFDJYMDABD-UHFFFAOYSA-N 50498095 CHEMBL3394152 Thymidylate kinase Mycobacterium tuberculosis 2730 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498095&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725937 433965360 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51211980 COc1cccc-2c1CCc1c-2[nH]c(=O)c(C#N)c1-c1ccc(cc1)C(O)=O InChI=1S/C22H16N2O4/c1-28-18-4-2-3-15-14(18)9-10-16-19(17(11-23)21(25)24-20(15)16)12-5-7-13(8-6-12)22(26)27/h2-8H,9-10H2,1H3,(H,24,25)(H,26,27) IPLSDAAMDQSJPJ-UHFFFAOYSA-N 50498096 CHEMBL3394232 Thymidylate kinase Mycobacterium tuberculosis 5.0 ChEMBL 10.1021/jm5012947 10.7270/Q2JS9TD7 25486447 Naik, M; Raichurkar, A; Bandodkar, BS; Varun, BV; Bhat, S; Kalkhambkar, R; Murugan, K; Menon, R; Bhat, J; Paul, B; Iyer, H; Hussein, S; Tucker, JA; Vogtherr, M; Embrey, KJ; McMiken, H; Prasad, S; Gill, A; Ugarkar, BG; Venkatraman, J; Read, J; Panda, M AstraZeneca http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50498096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50498096&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 118725978 433965361 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422944 Cc1cn(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C23H25N3O3/c1-17-15-26(23(28)24-22(17)27)19-10-12-25(13-11-19)16-18-6-5-9-21(14-18)29-20-7-3-2-4-8-20/h2-9,14-15,19H,10-13,16H2,1H3,(H,24,27,28) BIVAOTFPNQVBDM-UHFFFAOYSA-N 50574942 CHEMBL4074377 Thymidylate kinase Mycobacterium tuberculosis 6100 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574942&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 137640588 471065087 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422945 Cc1cn(C2CCN(Cc3cccc(Oc4ccccc4)n3)CC2)c(=O)[nH]c1=O InChI=1S/C22H24N4O3/c1-16-14-26(22(28)24-21(16)27)18-10-12-25(13-11-18)15-17-6-5-9-20(23-17)29-19-7-3-2-4-8-19/h2-9,14,18H,10-13,15H2,1H3,(H,24,27,28) BKRRWLAIGUKKJX-UHFFFAOYSA-N 50574943 CHEMBL4870416 Thymidylate kinase Mycobacterium tuberculosis 2500 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574943 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574943&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 95W 5NRN 134693701 471065088 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422946 Cc1cn(C2CCN(Cc3cc(Oc4ccccc4)ccn3)CC2)c(=O)[nH]c1=O InChI=1S/C22H24N4O3/c1-16-14-26(22(28)24-21(16)27)18-8-11-25(12-9-18)15-17-13-20(7-10-23-17)29-19-5-3-2-4-6-19/h2-7,10,13-14,18H,8-9,11-12,15H2,1H3,(H,24,27,28) QLEFPHRANNVBDM-UHFFFAOYSA-N 50574944 CHEMBL4856596 Thymidylate kinase Mycobacterium tuberculosis 8700 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574944 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574944&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164610285 471065089 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422947 Cc1cn(C2CCN(Cc3cncc(Oc4ccccc4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C22H24N4O3/c1-16-14-26(22(28)24-21(16)27)18-7-9-25(10-8-18)15-17-11-20(13-23-12-17)29-19-5-3-2-4-6-19/h2-6,11-14,18H,7-10,15H2,1H3,(H,24,27,28) XXKFUPFSZWFSHW-UHFFFAOYSA-N 50574945 CHEMBL4873388 Thymidylate kinase Mycobacterium tuberculosis 6400 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574945 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574945&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164620411 471065090 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422948 Cc1cn(C2CCN(Cc3ccnc(Oc4ccccc4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C22H24N4O3/c1-16-14-26(22(28)24-21(16)27)18-8-11-25(12-9-18)15-17-7-10-23-20(13-17)29-19-5-3-2-4-6-19/h2-7,10,13-14,18H,8-9,11-12,15H2,1H3,(H,24,27,28) LEJIPPVFEDCWQJ-UHFFFAOYSA-N 50574946 CHEMBL4847623 Thymidylate kinase Mycobacterium tuberculosis 10200 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574946 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574946&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164610467 471065091 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422949 Cc1cn(C2CCN(Cc3cccc(Oc4ccccn4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C22H24N4O3/c1-16-14-26(22(28)24-21(16)27)18-8-11-25(12-9-18)15-17-5-4-6-19(13-17)29-20-7-2-3-10-23-20/h2-7,10,13-14,18H,8-9,11-12,15H2,1H3,(H,24,27,28) ORAVLQYJZOTXLQ-UHFFFAOYSA-N 50574947 CHEMBL4877541 Thymidylate kinase Mycobacterium tuberculosis 41000 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574947 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574947&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164628929 471065092 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422950 Cc1cn(C2CCN(Cc3cccc(Oc4cccnc4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C22H24N4O3/c1-16-14-26(22(28)24-21(16)27)18-7-10-25(11-8-18)15-17-4-2-5-19(12-17)29-20-6-3-9-23-13-20/h2-6,9,12-14,18H,7-8,10-11,15H2,1H3,(H,24,27,28) RGHOQGLXXDCTLT-UHFFFAOYSA-N 50574948 CHEMBL4854415 Thymidylate kinase Mycobacterium tuberculosis 27000 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574948 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574948&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164616285 471065093 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422951 Cc1cn(C2CCN(Cc3cccc(Oc4ccncc4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C22H24N4O3/c1-16-14-26(22(28)24-21(16)27)18-7-11-25(12-8-18)15-17-3-2-4-20(13-17)29-19-5-9-23-10-6-19/h2-6,9-10,13-14,18H,7-8,11-12,15H2,1H3,(H,24,27,28) BAYDERZHNBKOHD-UHFFFAOYSA-N 50574949 CHEMBL4856512 Thymidylate kinase Mycobacterium tuberculosis 20000 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574949 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574949&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164612410 471065094 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422952 Cc1cn(C2CCN(Cc3cccc(OC4CCCC4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C22H29N3O3/c1-16-14-25(22(27)23-21(16)26)18-9-11-24(12-10-18)15-17-5-4-8-20(13-17)28-19-6-2-3-7-19/h4-5,8,13-14,18-19H,2-3,6-7,9-12,15H2,1H3,(H,23,26,27) UIHBUDXKSDOMDL-UHFFFAOYSA-N 50574950 CHEMBL4850442 Thymidylate kinase Mycobacterium tuberculosis 32000 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574950 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574950&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164610596 471065095 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422953 Cc1cn(C2CCN(Cc3cccc(OC4CCCCC4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C23H31N3O3/c1-17-15-26(23(28)24-22(17)27)19-10-12-25(13-11-19)16-18-6-5-9-21(14-18)29-20-7-3-2-4-8-20/h5-6,9,14-15,19-20H,2-4,7-8,10-13,16H2,1H3,(H,24,27,28) LLKZVVMUQSSKDF-UHFFFAOYSA-N 50574951 CHEMBL4864545 Thymidylate kinase Mycobacterium tuberculosis 42000 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574951 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574951&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164624036 471065096 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422954 Cc1cn(C2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C23H24ClN3O3/c1-16-14-27(23(29)25-22(16)28)19-9-11-26(12-10-19)15-17-3-2-4-21(13-17)30-20-7-5-18(24)6-8-20/h2-8,13-14,19H,9-12,15H2,1H3,(H,25,28,29) BESRTQMTSXIOII-UHFFFAOYSA-N 50574952 CHEMBL4854708 Thymidylate kinase Mycobacterium tuberculosis 6900 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574952&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164612342 471065097 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422955 COc1ccc(Oc2cccc(CN3CCC(CC3)n3cc(C)c(=O)[nH]c3=O)c2)cc1 InChI=1S/C24H27N3O4/c1-17-15-27(24(29)25-23(17)28)19-10-12-26(13-11-19)16-18-4-3-5-22(14-18)31-21-8-6-20(30-2)7-9-21/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,25,28,29) JHEBHJSXHAZUIL-UHFFFAOYSA-N 50574953 CHEMBL4850582 Thymidylate kinase Mycobacterium tuberculosis 10500 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574953&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164615584 471065098 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422956 Cc1ccc(Oc2cccc(CN3CCC(CC3)n3cc(C)c(=O)[nH]c3=O)c2)cc1 InChI=1S/C24H27N3O3/c1-17-6-8-21(9-7-17)30-22-5-3-4-19(14-22)16-26-12-10-20(11-13-26)27-15-18(2)23(28)25-24(27)29/h3-9,14-15,20H,10-13,16H2,1-2H3,(H,25,28,29) SVKIRSINLVWIOO-UHFFFAOYSA-N 50574954 CHEMBL4861127 Thymidylate kinase Mycobacterium tuberculosis 12000 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574954&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164614811 471065099 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422957 Cc1cn(C2CCN(Cc3cccc(Oc4ccc(Cl)c(Cl)c4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C23H23Cl2N3O3/c1-15-13-28(23(30)26-22(15)29)17-7-9-27(10-8-17)14-16-3-2-4-18(11-16)31-19-5-6-20(24)21(25)12-19/h2-6,11-13,17H,7-10,14H2,1H3,(H,26,29,30) QTVDJUHVCWKGDB-UHFFFAOYSA-N 50574955 CHEMBL4860579 Thymidylate kinase Mycobacterium tuberculosis 1100 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574955&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164618190 471065100 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422958 Cc1cn(C2CCN(Cc3cccc(Oc4cccc(Cl)c4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C23H24ClN3O3/c1-16-14-27(23(29)25-22(16)28)19-8-10-26(11-9-19)15-17-4-2-6-20(12-17)30-21-7-3-5-18(24)13-21/h2-7,12-14,19H,8-11,15H2,1H3,(H,25,28,29) FRJHYGUJISWRJE-UHFFFAOYSA-N 50574956 CHEMBL4854974 Thymidylate kinase Mycobacterium tuberculosis 890 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574956&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 163409031 471065101 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422959 Cc1cccc(Oc2cccc(CN3CCC(CC3)n3cc(C)c(=O)[nH]c3=O)c2)c1 InChI=1S/C24H27N3O3/c1-17-5-3-7-21(13-17)30-22-8-4-6-19(14-22)16-26-11-9-20(10-12-26)27-15-18(2)23(28)25-24(27)29/h3-8,13-15,20H,9-12,16H2,1-2H3,(H,25,28,29) VEUQBKXFERTJQH-UHFFFAOYSA-N 50574957 CHEMBL4876042 Thymidylate kinase Mycobacterium tuberculosis 26000 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574957&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164627230 471065102 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422960 Cc1cn(C2CCN(Cc3cccc(Oc4cccc(F)c4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C23H24FN3O3/c1-16-14-27(23(29)25-22(16)28)19-8-10-26(11-9-19)15-17-4-2-6-20(12-17)30-21-7-3-5-18(24)13-21/h2-7,12-14,19H,8-11,15H2,1H3,(H,25,28,29) TYNOABUNGWCACQ-UHFFFAOYSA-N 50574958 CHEMBL4846640 Thymidylate kinase Mycobacterium tuberculosis 2900 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574958&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164608817 471065103 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422961 Cc1cn(C2CCN(Cc3cccc(Oc4cccc(O)c4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C23H25N3O4/c1-16-14-26(23(29)24-22(16)28)18-8-10-25(11-9-18)15-17-4-2-6-20(12-17)30-21-7-3-5-19(27)13-21/h2-7,12-14,18,27H,8-11,15H2,1H3,(H,24,28,29) RCTVTOQDWGJTAI-UHFFFAOYSA-N 50574959 CHEMBL4873917 Thymidylate kinase Mycobacterium tuberculosis 33000 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574959&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164626104 471065104 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422962 COc1cccc(Oc2cccc(CN3CCC(CC3)n3cc(C)c(=O)[nH]c3=O)c2)c1 InChI=1S/C24H27N3O4/c1-17-15-27(24(29)25-23(17)28)19-9-11-26(12-10-19)16-18-5-3-7-21(13-18)31-22-8-4-6-20(14-22)30-2/h3-8,13-15,19H,9-12,16H2,1-2H3,(H,25,28,29) OMHBKMYSXGDQEQ-UHFFFAOYSA-N 50574960 CHEMBL4849731 Thymidylate kinase Mycobacterium tuberculosis 1200 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574960&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164613319 471065105 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422963 Cc1cn(C2CCN(Cc3cccc(Oc4ccc(Cl)c(c4)C(F)(F)F)c3)CC2)c(=O)[nH]c1=O InChI=1S/C24H23ClF3N3O3/c1-15-13-31(23(33)29-22(15)32)17-7-9-30(10-8-17)14-16-3-2-4-18(11-16)34-19-5-6-21(25)20(12-19)24(26,27)28/h2-6,11-13,17H,7-10,14H2,1H3,(H,29,32,33) MSMPZVBTTHBVTH-UHFFFAOYSA-N 50574961 CHEMBL4854518 Thymidylate kinase Mycobacterium tuberculosis 1100 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574961&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164612937 471065106 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422964 Cc1cn(C2CCN(Cc3cccc(Oc4ccc(F)c(F)c4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C23H23F2N3O3/c1-15-13-28(23(30)26-22(15)29)17-7-9-27(10-8-17)14-16-3-2-4-18(11-16)31-19-5-6-20(24)21(25)12-19/h2-6,11-13,17H,7-10,14H2,1H3,(H,26,29,30) LTLZKLNPKCECTO-UHFFFAOYSA-N 50574962 CHEMBL4863370 Thymidylate kinase Mycobacterium tuberculosis 2600 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574962&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164622613 471065107 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422965 Cc1cn(C2CCN(Cc3cccc(Oc4cccc(c4)C(F)(F)F)c3)CC2)c(=O)[nH]c1=O InChI=1S/C24H24F3N3O3/c1-16-14-30(23(32)28-22(16)31)19-8-10-29(11-9-19)15-17-4-2-6-20(12-17)33-21-7-3-5-18(13-21)24(25,26)27/h2-7,12-14,19H,8-11,15H2,1H3,(H,28,31,32) QKLGGWPQRCUEKF-UHFFFAOYSA-N 50574963 CHEMBL4848605 Thymidylate kinase Mycobacterium tuberculosis 600 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574963&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164611063 471065108 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422966 Cc1cn(C2CCN(Cc3cccc(Oc4cccc(OC(F)(F)F)c4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C24H24F3N3O4/c1-16-14-30(23(32)28-22(16)31)18-8-10-29(11-9-18)15-17-4-2-5-19(12-17)33-20-6-3-7-21(13-20)34-24(25,26)27/h2-7,12-14,18H,8-11,15H2,1H3,(H,28,31,32) CVMPRXAQYSPHHD-UHFFFAOYSA-N 50574964 CHEMBL4868830 Thymidylate kinase Mycobacterium tuberculosis 650 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574964&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164621026 471065109 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422967 Cc1cn(C2CCN(Cc3cccc(Oc4cc(Cl)cc(Cl)c4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C23H23Cl2N3O3/c1-15-13-28(23(30)26-22(15)29)19-5-7-27(8-6-19)14-16-3-2-4-20(9-16)31-21-11-17(24)10-18(25)12-21/h2-4,9-13,19H,5-8,14H2,1H3,(H,26,29,30) CAJAIKQLVPYCOI-UHFFFAOYSA-N 50574965 CHEMBL4876372 Thymidylate kinase Mycobacterium tuberculosis 120 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574965&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 163409032 471065110 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422968 Cc1cn(C2CCN(Cc3cccc(Oc4cc(F)cc(F)c4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C23H23F2N3O3/c1-15-13-28(23(30)26-22(15)29)19-5-7-27(8-6-19)14-16-3-2-4-20(9-16)31-21-11-17(24)10-18(25)12-21/h2-4,9-13,19H,5-8,14H2,1H3,(H,26,29,30) DOUSIDBPOVDOPQ-UHFFFAOYSA-N 50574966 CHEMBL4855593 Thymidylate kinase Mycobacterium tuberculosis 2800 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574966&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164610217 471065111 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422969 Cc1cn(C2CCN(Cc3cccc(Oc4cc(cc(c4)C(F)(F)F)C(F)(F)F)c3)CC2)c(=O)[nH]c1=O InChI=1S/C25H23F6N3O3/c1-15-13-34(23(36)32-22(15)35)19-5-7-33(8-6-19)14-16-3-2-4-20(9-16)37-21-11-17(24(26,27)28)10-18(12-21)25(29,30)31/h2-4,9-13,19H,5-8,14H2,1H3,(H,32,35,36) BLDIUVTWIXKUGA-UHFFFAOYSA-N 50574967 CHEMBL4858644 Thymidylate kinase Mycobacterium tuberculosis 140 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574967&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164613640 471065112 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422970 Cc1cn(C2CCN(Cc3cccc(Oc4ccc(O)cc4)n3)CC2)c(=O)[nH]c1=O InChI=1S/C22H24N4O4/c1-15-13-26(22(29)24-21(15)28)17-9-11-25(12-10-17)14-16-3-2-4-20(23-16)30-19-7-5-18(27)6-8-19/h2-8,13,17,27H,9-12,14H2,1H3,(H,24,28,29) VAHUNDWYBUZVIC-UHFFFAOYSA-N 50574968 CHEMBL4871611 Thymidylate kinase Mycobacterium tuberculosis 1100 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574968&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164621583 471065113 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422971 Cc1cn(C2CCN(Cc3cccc(Oc4ccccc4C(O)=O)n3)CC2)c(=O)[nH]c1=O InChI=1S/C23H24N4O5/c1-15-13-27(23(31)25-21(15)28)17-9-11-26(12-10-17)14-16-5-4-8-20(24-16)32-19-7-3-2-6-18(19)22(29)30/h2-8,13,17H,9-12,14H2,1H3,(H,29,30)(H,25,28,31) UEEHBISYPBIBJH-UHFFFAOYSA-N 50574969 CHEMBL4873321 Thymidylate kinase Mycobacterium tuberculosis 25000 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574969&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164625323 471065114 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422972 Cc1cn(C2CCN(Cc3cccc(Oc4cccc(Cl)c4)n3)CC2)c(=O)[nH]c1=O InChI=1S/C22H23ClN4O3/c1-15-13-27(22(29)25-21(15)28)18-8-10-26(11-9-18)14-17-5-3-7-20(24-17)30-19-6-2-4-16(23)12-19/h2-7,12-13,18H,8-11,14H2,1H3,(H,25,28,29) MLSFWDCSGRONNR-UHFFFAOYSA-N 50574970 CHEMBL4860538 Thymidylate kinase Mycobacterium tuberculosis 450 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574970&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164618171 471065115 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422973 Cc1cn(C2CCN(Cc3cc(Oc4cccc(Cl)c4)ccn3)CC2)c(=O)[nH]c1=O InChI=1S/C22H23ClN4O3/c1-15-13-27(22(29)25-21(15)28)18-6-9-26(10-7-18)14-17-12-20(5-8-24-17)30-19-4-2-3-16(23)11-19/h2-5,8,11-13,18H,6-7,9-10,14H2,1H3,(H,25,28,29) JRDUGOGZIRVWRZ-UHFFFAOYSA-N 50574971 CHEMBL4868671 Thymidylate kinase Mycobacterium tuberculosis 2800 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574971&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164624224 471065116 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422974 Cc1cn(C2CCN(Cc3cc(Oc4cc(Cl)cc(Cl)c4)ccn3)CC2)c(=O)[nH]c1=O InChI=1S/C22H22Cl2N4O3/c1-14-12-28(22(30)26-21(14)29)18-3-6-27(7-4-18)13-17-11-19(2-5-25-17)31-20-9-15(23)8-16(24)10-20/h2,5,8-12,18H,3-4,6-7,13H2,1H3,(H,26,29,30) OHRZNIZCKBWPCU-UHFFFAOYSA-N 50574972 CHEMBL4876370 Thymidylate kinase Mycobacterium tuberculosis 600 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574972&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164629115 471065117 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422975 Cc1cn(C2CCN(Cc3cncc(Oc4cccc(Cl)c4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C22H23ClN4O3/c1-15-13-27(22(29)25-21(15)28)18-5-7-26(8-6-18)14-16-9-20(12-24-11-16)30-19-4-2-3-17(23)10-19/h2-4,9-13,18H,5-8,14H2,1H3,(H,25,28,29) RNTPQXGZOHDUAY-UHFFFAOYSA-N 50574973 CHEMBL4874579 Thymidylate kinase Mycobacterium tuberculosis 770 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574973&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search ZUI 5NRQ 134693702 471065118 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422976 Cc1cn(C2CCN(Cc3cncc(Oc4cccc(OC(F)(F)F)c4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C23H23F3N4O4/c1-15-13-30(22(32)28-21(15)31)17-5-7-29(8-6-17)14-16-9-20(12-27-11-16)33-18-3-2-4-19(10-18)34-23(24,25)26/h2-4,9-13,17H,5-8,14H2,1H3,(H,28,31,32) CIVCDVXSYVWNOK-UHFFFAOYSA-N 50574974 CHEMBL4865732 Thymidylate kinase Mycobacterium tuberculosis 810 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574974&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164623245 471065119 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422977 Cc1cn(C2CCN(Cc3cncc(Oc4cc(Cl)cc(Cl)c4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C22H22Cl2N4O3/c1-14-12-28(22(30)26-21(14)29)18-2-4-27(5-3-18)13-15-6-20(11-25-10-15)31-19-8-16(23)7-17(24)9-19/h6-12,18H,2-5,13H2,1H3,(H,26,29,30) IGCBWQMHMMBBRM-UHFFFAOYSA-N 50574975 CHEMBL4869914 Thymidylate kinase Mycobacterium tuberculosis 220 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574975&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164618942 471065120 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51422978 Cc1cn(C2CCN(Cc3ccnc(Oc4cccc(Cl)c4)c3)CC2)c(=O)[nH]c1=O InChI=1S/C22H23ClN4O3/c1-15-13-27(22(29)25-21(15)28)18-6-9-26(10-7-18)14-16-5-8-24-20(11-16)30-19-4-2-3-17(23)12-19/h2-5,8,11-13,18H,6-7,9-10,14H2,1H3,(H,25,28,29) PGRSUPJKEDVVNG-UHFFFAOYSA-N 50574976 CHEMBL4872239 Thymidylate kinase Mycobacterium tuberculosis 3100 ChEMBL 10.1016/j.ejmech.2021.113784 10.7270/Q2QN6BM5 34450493 Song, L; Merceron, R; Hulpia, F; Lucía, A; Gracia, B; Jian, Y; Risseeuw, MDP; Verstraelen, T; Cos, P; Aínsa, JA; Boshoff, HI; Munier-Lehmann, H; Savvides, SN; Van Calenbergh, S Ghent University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50574976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50574976&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 164619442 471065121 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 1G3U,1GSI,1GTV,1MRN,1MRS,1N5I,1N5J,1N5K,1N5L,1W2G,1W2H,4UNP,4UNQ,4UNR,4UNS,5NQ5,5NR7,5NRN,5NRQ,6YT1 Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51562402 CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1OCc1cn(CC(=O)c2ccc(Cl)cc2)nn1 InChI=1S/C25H24ClN5O5/c1-3-35-24(33)22-15(2)27-25(34)28-23(22)19-6-4-5-7-21(19)36-14-18-12-31(30-29-18)13-20(32)16-8-10-17(26)11-9-16/h4-12,23H,3,13-14H2,1-2H3,(H2,27,28,34) WHOQOQSRSPWRIE-UHFFFAOYSA-N 50628072 CHEMBL5410104 Thymidylate kinase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 80 ChEMBL 10.1016/j.ejmech.2023.115409 10.7270/Q2Z03DK1 37120997 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50628072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50628072&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 6YT1,5NRQ,5NRN,5NR7,5NQ5,1W2H,1W2G,1N5L,1N5K,1N5J,1N5I,1MRS,1MRN,1GTV,1GSI,1G3U,4UNS,4UNR,4UNQ,4UNP Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51562403 Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 GYOZYWVXFNDGLU-XLPZGREQSA-N 50332929 ((2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-tetrahydrofuran-2-yl)methyl dihydrogen phosphate::(R)-1-((4S,5R)-4-Hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::2'-deoxythymidine monophosphate::CHEMBL394429::Phosphoric acid mono-[3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl] ester::THYMIDINE-5'-MONOPHOSPHATE::US11111252, Compound TMP::thymidine monophosphate::thymidine-5'-phosphate Thymidylate kinase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 70 ChEMBL 10.1016/j.ejmech.2023.115409 10.7270/Q2Z03DK1 37120997 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50332929 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50332929&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search DT 4E0P,4E0Y,4E0Z,4E10,4G06,4KPY,4KX3,4N76,4NCA,4NCB,4S0N,4YNQ,5CDM 9700 125083031 17013 CHEMBL394429 DB01643 C00364 ZINC01678872 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 6YT1,5NRQ,5NRN,5NR7,5NQ5,1W2H,1W2G,1N5L,1N5K,1N5J,1N5I,1MRS,1MRN,1GTV,1GSI,1G3U,4UNS,4UNR,4UNQ,4UNP Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51556562 Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O InChI=1S/C11H16N5O7P/c1-6-4-16(11(18)14-10(6)17)9-2-7(3-13-15-12)8(23-9)5-22-24(19,20)21/h4,7-9H,2-3,5H2,1H3,(H,14,17,18)(H2,19,20,21)/t7-,8-,9-/m1/s1 RBJFKTLXEOJJBT-IWSPIJDZSA-N 50626419 CHEMBL1160994 Thymidylate kinase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 12000 ChEMBL 10.1016/j.ejmech.2022.114946 10.7270/Q29P362T 36459759 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50626419 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50626419&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 6YT1,5NRQ,5NRN,5NR7,5NQ5,1W2H,1W2G,1N5L,1N5K,1N5J,1N5I,1MRS,1MRN,1GTV,1GSI,1G3U,4UNS,4UNR,4UNQ,4UNP Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51556563 Cc1cn([C@H]2C[C@H](CN)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O InChI=1S/C11H18N3O7P/c1-6-4-14(11(16)13-10(6)15)9-2-7(3-12)8(21-9)5-20-22(17,18)19/h4,7-9H,2-3,5,12H2,1H3,(H,13,15,16)(H2,17,18,19)/t7-,8-,9-/m1/s1 PUVBLTZKPNZGIZ-IWSPIJDZSA-N 50626420 CHEMBL1161004 Thymidylate kinase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 10500 ChEMBL 10.1016/j.ejmech.2022.114946 10.7270/Q29P362T 36459759 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50626420 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50626420&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 6YT1,5NRQ,5NRN,5NR7,5NQ5,1W2H,1W2G,1N5L,1N5K,1N5J,1N5I,1MRS,1MRN,1GTV,1GSI,1G3U,4UNS,4UNR,4UNQ,4UNP Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51556564 Cc1cn([C@H]2C[C@H](CF)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O InChI=1S/C11H16FN2O7P/c1-6-4-14(11(16)13-10(6)15)9-2-7(3-12)8(21-9)5-20-22(17,18)19/h4,7-9H,2-3,5H2,1H3,(H,13,15,16)(H2,17,18,19)/t7-,8-,9-/m1/s1 FRCFVCUGTVLSMX-IWSPIJDZSA-N 50626421 CHEMBL1160993 Thymidylate kinase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 15000 ChEMBL 10.1016/j.ejmech.2022.114946 10.7270/Q29P362T 36459759 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50626421 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50626421&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 6YT1,5NRQ,5NRN,5NR7,5NQ5,1W2H,1W2G,1N5L,1N5K,1N5J,1N5I,1MRS,1MRN,1GTV,1GSI,1G3U,4UNS,4UNR,4UNQ,4UNP Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51556565 Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C11H15N5O4/c1-6-4-16(11(19)14-10(6)18)9-2-7(3-13-15-12)8(5-17)20-9/h4,7-9,17H,2-3,5H2,1H3,(H,14,18,19)/t7-,8-,9-/m1/s1 SZDHPCIIVLDJJD-IWSPIJDZSA-N 50131908 1-(4-Azidomethyl-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione::CHEMBL340604 Thymidylate kinase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 40000 ChEMBL 10.1016/j.ejmech.2022.114946 10.7270/Q29P362T 36459759 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50131908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50131908&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 477012 104022933 CHEMBL340604 ZINC03782498 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 6YT1,5NRQ,5NRN,5NR7,5NQ5,1W2H,1W2G,1N5L,1N5K,1N5J,1N5I,1MRS,1MRN,1GTV,1GSI,1G3U,4UNS,4UNR,4UNQ,4UNP Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51556566 Cc1cn([C@@H]2O[C@H](CO)[C@H]3CNC(=S)O[C@@H]23)c(=O)[nH]c1=O InChI=1S/C12H15N3O5S/c1-5-3-15(11(18)14-9(5)17)10-8-6(7(4-16)19-10)2-13-12(21)20-8/h3,6-8,10,16H,2,4H2,1H3,(H,13,21)(H,14,17,18)/t6-,7-,8-,10-/m1/s1 XJOHDYKWJQAIML-FDDDBJFASA-N 50156570 1-[3-aminomethyl-3-deoxy-2-O-,6-N-(thiocarbonyl)-beta-D-ribofuranosyl)thymine::CHEMBL375569 Thymidylate kinase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 3500 ChEMBL 10.1016/j.ejmech.2022.114946 10.7270/Q29P362T 36459759 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50156570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50156570&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 11483804 104043679 CHEMBL375569 ZINC13585652 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 6YT1,5NRQ,5NRN,5NR7,5NQ5,1W2H,1W2G,1N5L,1N5K,1N5J,1N5I,1MRS,1MRN,1GTV,1GSI,1G3U,4UNS,4UNR,4UNQ,4UNP Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51556567 Cc1cn([C@H]2C[C@H](NC(=O)N[C@H]3C[C@@H](O[C@@H]3O)c3[nH]c(=O)[nH]c(=O)c3C)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C20H26N6O9/c1-7-5-26(20(33)25-15(7)28)13-4-9(12(6-27)34-13)21-18(31)22-10-3-11(35-17(10)30)14-8(2)16(29)24-19(32)23-14/h5,9-13,17,27,30H,3-4,6H2,1-2H3,(H2,21,22,31)(H,25,28,33)(H2,23,24,29,32)/t9-,10-,11+,12+,13+,17-/m0/s1 OFAWDTNAVSKRFH-VRLCQRPESA-N 50626422 CHEMBL5429918 Thymidylate kinase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 37000 ChEMBL 10.1016/j.ejmech.2022.114946 10.7270/Q29P362T 36459759 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50626422 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50626422&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 6YT1,5NRQ,5NRN,5NR7,5NQ5,1W2H,1W2G,1N5L,1N5K,1N5J,1N5I,1MRS,1MRN,1GTV,1GSI,1G3U,4UNS,4UNR,4UNQ,4UNP Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51556568 Cc1cn([C@H]2C[C@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)[C@@H](CO)O2)c(=O)[nH]c1=O InChI=1S/C19H20ClF3N4O4S/c1-9-7-27(18(30)26-16(9)29)15-4-10(14(8-28)31-15)6-24-17(32)25-11-2-3-13(20)12(5-11)19(21,22)23/h2-3,5,7,10,14-15,28H,4,6,8H2,1H3,(H2,24,25,32)(H,26,29,30)/t10-,14-,15-/m1/s1 PGLJFXYYGKUBBV-VCTAVGKDSA-N 50223789 CHEMBL430363::N-(3-chloro-4-trifluoromethylphenyl)-N'-[(3'-deoxythymidin-3'-yl)methyl]thiourea Thymidylate kinase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 5000 ChEMBL 10.1016/j.ejmech.2022.114946 10.7270/Q29P362T 36459759 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50223789 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50223789&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 23636479 104095634 CHEMBL430363 ZINC28864411 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 6YT1,5NRQ,5NRN,5NR7,5NQ5,1W2H,1W2G,1N5L,1N5K,1N5J,1N5I,1MRS,1MRN,1GTV,1GSI,1G3U,4UNS,4UNR,4UNQ,4UNP Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51556569 Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=S)Nc3ccc(Cl)c(c3)C(F)(F)F)O2)c(=O)[nH]c1=O InChI=1S/C18H18ClF3N4O4S/c1-8-7-26(17(29)25-15(8)28)14-5-12(27)13(30-14)6-23-16(31)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,31)(H,25,28,29)/t12-,13+,14+/m0/s1 IJDGQXGQAWBJEG-BFHYXJOUSA-N 50359622 CHEMBL1928432 Thymidylate kinase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 600 ChEMBL 10.1016/j.ejmech.2022.114946 10.7270/Q29P362T 36459759 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50359622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50359622&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 74W 2YOF 57393641 136963646 CHEMBL1928432 ZINC73198744 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 6YT1,5NRQ,5NRN,5NR7,5NQ5,1W2H,1W2G,1N5L,1N5K,1N5J,1N5I,1MRS,1MRN,1GTV,1GSI,1G3U,4UNS,4UNR,4UNQ,4UNP Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8 51556571 Cc1cn(C\C=C/CN2c3cccc4cccc(c34)S2(=O)=O)c(=O)[nH]c1=O InChI=1S/C19H17N3O4S/c1-13-12-21(19(24)20-18(13)23)10-2-3-11-22-15-8-4-6-14-7-5-9-16(17(14)15)27(22,25)26/h2-9,12H,10-11H2,1H3,(H,20,23,24)/b3-2- LDUUVXSTHWVZQG-IHWYPQMZSA-N 50626423 CHEMBL3929904 Thymidylate kinase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 270 ChEMBL 10.1016/j.ejmech.2022.114946 10.7270/Q29P362T 36459759 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50626423 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000494&target=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50626423&enzyme=Thymidylate+kinase&column=ki&startPg=0&Increment=50&submit=Search 1 MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAEALHGEHGDLASSVYAMATLFALDRAGAVHTIQGLCRGYDVVILDRYVASNAAYSAARLHENAAGKAAAWVQRIEFARLGLPKPDWQVLLAVSAELAGERSRGRAQRDPGRARDNYERDAELQQRTGAVYAELAAQGWGGRWLVVGADVDPGRLAATLAPPDVPS 6YT1,5NRQ,5NRN,5NR7,5NQ5,1W2H,1W2G,1N5L,1N5K,1N5J,1N5I,1MRS,1MRN,1GTV,1GSI,1G3U,4UNS,4UNR,4UNQ,4UNP Thymidylate kinase KTHY_MYCTU P9WKE1 L0TDK8 O05891 Q7D5U8