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 50835501 CCCCCCCC1(C)SC(=O)C(C)C1=O InChI=1S/C13H22O2S/c1-4-5-6-7-8-9-13(3)11(14)10(2)12(15)16-13/h10H,4-9H2,1-3H3 JESYAZYDCUETJK-UHFFFAOYSA-N 50180103 3,5-dimethyl-5-heptyl-4-hydroxy-5H-thiophen-2-one::CHEMBL200240 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180103 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180103&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936472 104065241 CHEMBL200240 ZINC53262290 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835505 CC1C(=O)SC(C)(CCc2ccccc2)C1=O InChI=1S/C14H16O2S/c1-10-12(15)14(2,17-13(10)16)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 NDVCLVVVPXPPLD-UHFFFAOYSA-N 50180100 3,5-dimethyl-4-hydroxy-5-phenethyl-5H-thiophen-2-one::CHEMBL199900 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180100&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936469 104065238 CHEMBL199900 ZINC28566978 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835506 CC1C(=O)SC(C)(Cc2ccc3ccccc3c2)C1=O InChI=1S/C17H16O2S/c1-11-15(18)17(2,20-16(11)19)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,11H,10H2,1-2H3 GKUDJZKSPZWOIA-UHFFFAOYSA-N 50180105 3,5-dimethyl-4-hydroxy-5-(naphthalen-2-ylmethyl)-5H-thiophen-2-one::CHEMBL381559 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180105&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936474 104065243 CHEMBL381559 ZINC28567222 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835507 CC1C(=O)SC(C)(Cc2c(Cl)cccc2Cl)C1=O InChI=1S/C13H12Cl2O2S/c1-7-11(16)13(2,18-12(7)17)6-8-9(14)4-3-5-10(8)15/h3-5,7H,6H2,1-2H3 YJRGQADNRBYLJG-UHFFFAOYSA-N 50180106 5-(2,6-dichlorobenzyl)-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one::CHEMBL199977 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180106&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936475 104065244 CHEMBL199977 ZINC28566791 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835516 CC1C(=O)SC(C)(Cc2ccc(cc2)C(C)(C)C)C1=O InChI=1S/C17H22O2S/c1-11-14(18)17(5,20-15(11)19)10-12-6-8-13(9-7-12)16(2,3)4/h6-9,11H,10H2,1-5H3 WMSYLLHZCGAESM-UHFFFAOYSA-N 50134355 5-(4-tert-Butyl-benzyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::5-(4-tert-butylbenzyl)-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one::CHEMBL333571 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134355&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91932679 104024978 CHEMBL333571 ZINC13553930 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835526 CC1C(=O)SC(C)(Cc2cc(C)ccc2C)C1=O InChI=1S/C15H18O2S/c1-9-5-6-10(2)12(7-9)8-15(4)13(16)11(3)14(17)18-15/h5-7,11H,8H2,1-4H3 XKNCZZOZTLTDAL-UHFFFAOYSA-N 50180112 3,5-dimethyl-5-(2,5-dimethylbenzyl)-4-hydroxy-5H-thiophen-2-one::CHEMBL379235 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180112 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180112&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936481 104065250 CHEMBL379235 ZINC28567362 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835540 CC1C(=O)SC(C)(Cc2cccc(c2)C(F)(F)F)C1=O InChI=1S/C14H13F3O2S/c1-8-11(18)13(2,20-12(8)19)7-9-4-3-5-10(6-9)14(15,16)17/h3-6,8H,7H2,1-2H3 INMJPLKVDZJSPX-UHFFFAOYSA-N 50180099 3,5-dimethyl-4-hydroxy-5-(3-trifluoromethylbenzyl)-5H-thiophen-2-one::CHEMBL201541 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180099&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936468 104065237 CHEMBL201541 ZINC28567372 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835542 CC(C)CCC1(C)SC(=O)C(C)C1=O InChI=1S/C11H18O2S/c1-7(2)5-6-11(4)9(12)8(3)10(13)14-11/h7-8H,5-6H2,1-4H3 YGQAILHTORSALQ-UHFFFAOYSA-N 50180123 3,5-dimethyl-4-hydroxy-5-(3-methylbutyl)-5H-thiophen-2-one::CHEMBL202928 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180123 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180123&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91048881 104065261 CHEMBL202928 ZINC05882656 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835552 COc1cc(CC2(C)SC(=O)C(C)C2=O)cc(OC)c1 InChI=1S/C15H18O4S/c1-9-13(16)15(2,20-14(9)17)8-10-5-11(18-3)7-12(6-10)19-4/h5-7,9H,8H2,1-4H3 WEJLYUCXWKKWJA-UHFFFAOYSA-N 50180101 3,5-dimethyl-5-(3,5-dimethoxybenzyl)-4-hydroxy-5H-thiophen-2-one::CHEMBL202817 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180101&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936470 104065239 CHEMBL202817 ZINC28567208 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835555 CC1C(=O)SC(C)(Cc2ccc(C)cc2)C1=O InChI=1S/C14H16O2S/c1-9-4-6-11(7-5-9)8-14(3)12(15)10(2)13(16)17-14/h4-7,10H,8H2,1-3H3 MNYRRFBCVIIAEC-UHFFFAOYSA-N 50134358 3,5-dimethyl-4-hydroxy-5-(4-methylbenzyl)-5H-thiophen-2-one::4-Hydroxy-3,5-dimethyl-5-(4-methyl-benzyl)-5H-thiophen-2-one::CHEMBL432983 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134358 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134358&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91932682 104024981 CHEMBL432983 ZINC13553928 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835559 COc1cccc(CC2(C)SC(=O)C(C)C2=O)c1 InChI=1S/C14H16O3S/c1-9-12(15)14(2,18-13(9)16)8-10-5-4-6-11(7-10)17-3/h4-7,9H,8H2,1-3H3 GQPBGPCSFIBSOP-UHFFFAOYSA-N 50134346 3,5-dimethyl-4-hydroxy-5-(3-methoxybenzyl)-5H-thiophen-2-one::4-Hydroxy-5-(3-methoxy-benzyl)-3,5-dimethyl-5H-thiophen-2-one::CHEMBL123184 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134346&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91932672 104024969 CHEMBL123184 ZINC13553934 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835567 CC1C(=O)SC(C)(CC2CCC2)C1=O InChI=1S/C11H16O2S/c1-7-9(12)11(2,14-10(7)13)6-8-4-3-5-8/h7-8H,3-6H2,1-2H3 UELGQCGMOREKAK-UHFFFAOYSA-N 50180133 5-cyclobutylmethyl-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one::CHEMBL373005 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180133 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180133&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936500 104065271 CHEMBL373005 ZINC28566538 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835576 CC\C=C\CC1(C)SC(=O)C(C)C1=O InChI=1S/C11H16O2S/c1-4-5-6-7-11(3)9(12)8(2)10(13)14-11/h5-6,8H,4,7H2,1-3H3/b6-5+ HFBDIZKDKSFWDK-AATRIKPKSA-N 50180118 3,5-dimethyl-4-hydroxy-5-((E)-pent-2-enyl)-5H-thiophen-2-one::CHEMBL199428 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180118 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180118&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936487 104065256 CHEMBL199428 ZINC28566546 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835582 CCCCCCCCCCCC1(C)SC(=O)C(C)C1=O InChI=1S/C17H30O2S/c1-4-5-6-7-8-9-10-11-12-13-17(3)15(18)14(2)16(19)20-17/h14H,4-13H2,1-3H3 ZRYCZUSBOKDGGM-UHFFFAOYSA-N 50180104 3,5-dimethyl-4-hydroxy-5-undecyl-5H-thiophen-2-one::CHEMBL372341 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180104&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936473 104065242 CHEMBL372341 ZINC53151257 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835591 CC1C(=O)SC(C)(Cc2c(C)cc(C)cc2C)C1=O InChI=1S/C16H20O2S/c1-9-6-10(2)13(11(3)7-9)8-16(5)14(17)12(4)15(18)19-16/h6-7,12H,8H2,1-5H3 KAXPGHFHEXJJRZ-UHFFFAOYSA-N 50180107 3,5-dimethyl-4-hydroxy-5-(2,4,6-trimethylbenzyl)-5H-thiophen-2-one::CHEMBL201261 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180107&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936476 104065245 CHEMBL201261 ZINC28567366 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835595 C\C=C\C(\C)=C\[C@@]1(C)SC(=O)C(C)C1=O InChI=1S/C12H16O2S/c1-5-6-8(2)7-12(4)10(13)9(3)11(14)15-12/h5-7,9H,1-4H3/b6-5+,8-7+/t9?,12-/m1/s1 DGOVNMKGWUFZFR-JWRSGSHQSA-N 50180135 (R)-3,5-dimethyl-4-hydroxy-5-((1E,3E)-2-methylpenta-1,3-dienyl)-5H-thiophen-2-one::CHEMBL382200 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis 400000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180135 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180135&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936502 104065273 CHEMBL382200 ZINC53160904 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835603 CC1C(=O)SC(C)(Cc2ccc(Cl)cc2)C1=O InChI=1S/C13H13ClO2S/c1-8-11(15)13(2,17-12(8)16)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3 GJKRSYQJZNVISK-UHFFFAOYSA-N 50180108 5-(4-chlorobenzyl)-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one::CHEMBL382958 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180108&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936477 104065246 CHEMBL382958 ZINC28566667 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835604 CC1C(=O)SC(C)(CCC=C)C1=O InChI=1S/C10H14O2S/c1-4-5-6-10(3)8(11)7(2)9(12)13-10/h4,7H,1,5-6H2,2-3H3 SYTASIWJJGUMGJ-UHFFFAOYSA-N 50180109 5-(but-3-enyl)-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one::CHEMBL380904 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180109 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180109&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936478 104065247 CHEMBL380904 ZINC28567656 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835610 CCCCCCCCCCC(C)C1(C)SC(=O)C(C)C1=O InChI=1S/C18H32O2S/c1-5-6-7-8-9-10-11-12-13-14(2)18(4)16(19)15(3)17(20)21-18/h14-15H,5-13H2,1-4H3 SHAIGLACVDJUKQ-UHFFFAOYSA-N 50180122 3,5-dimethyl-4-hydroxy-5-(1-methylundecyl)-5H-thiophen-2-one::CHEMBL199976 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180122&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936491 104065260 CHEMBL199976 ZINC53262296 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835613 CC1C(=O)SC(C)(Cc2ccc(cc2)[N+]([O-])=O)C1=O InChI=1S/C13H13NO4S/c1-8-11(15)13(2,19-12(8)16)7-9-3-5-10(6-4-9)14(17)18/h3-6,8H,7H2,1-2H3 VJOCBKWDVWWFJT-UHFFFAOYSA-N 50180115 3,5-dimethyl-4-hydroxy-5-(4-nitrobenzyl)-5H-thiophen-2-one::CHEMBL203154 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180115&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936484 104065253 CHEMBL203154 ZINC28567658 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835617 CC1C(=O)SC(C)(Cc2ccccc2Cl)C1=O InChI=1S/C13H13ClO2S/c1-8-11(15)13(2,17-12(8)16)7-9-5-3-4-6-10(9)14/h3-6,8H,7H2,1-2H3 LSSKDWYNIRPKKS-UHFFFAOYSA-N 50180102 5-(2-chlorobenzyl)-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one::CHEMBL436318 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180102&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936471 104065240 CHEMBL436318 ZINC28566662 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835622 CC1C(=O)S[C@](C)(\C=C(/C)C=C)C1=O InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,8H,1H2,2-4H3/b7-6+/t8?,11-/m1/s1 IKJRVRCIDNWYPZ-CXQVHHQOSA-N 50241313 (5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1,3-dienyl]thiophen-2(5H)-one::(R)-(+)-Thiolactomycin::(R)-4-Hydroxy-3,5-dimethyl-5-((E)-2-methyl-buta-1,3-dienyl)-5H-thiophen-2-one::(R,E)-4-hydroxy-3,5-dimethyl-5-(2-methylbuta-1,3-dienyl)thiophen-2(5H)-one::5R-Thiolactomycin::CHEMBL399043::TLM analog, 1 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis 6000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50241313 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50241313&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search TLM 4C6X,2VB8,2WGE,2WGG,1FJ4 91935543 104098712 CHEMBL399043 ZINC38145872 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835639 CC1C(=O)SC(C)(CCCCCCC=C)C1=O InChI=1S/C14H22O2S/c1-4-5-6-7-8-9-10-14(3)12(15)11(2)13(16)17-14/h4,11H,1,5-10H2,2-3H3 SHGAQIKZHVGIAS-UHFFFAOYSA-N 50180137 3,5-dimethyl-4-hydroxy-5-oct-7-enyl-5H-thiophen-2-one::CHEMBL383537 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180137 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180137&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936504 104065275 CHEMBL383537 ZINC28567654 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835640 CC1C(=O)SC(C)(CC2CCCCC2)C1=O InChI=1S/C13H20O2S/c1-9-11(14)13(2,16-12(9)15)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3 VYICFALLNFALHB-UHFFFAOYSA-N 50180119 5-cyclohexylmethyl-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one::CHEMBL198344 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180119 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180119&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936488 104065257 CHEMBL198344 ZINC28566542 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835645 COc1ccc(CC2(C)SC(=O)C(C)C2=O)cc1 InChI=1S/C14H16O3S/c1-9-12(15)14(2,18-13(9)16)8-10-4-6-11(17-3)7-5-10/h4-7,9H,8H2,1-3H3 CLENEMPRIVEYEZ-UHFFFAOYSA-N 50134359 3,5-dimethyl-4-hydroxy-5-(4-methoxybenzyl)-5H-thiophen-2-one::4-Hydroxy-5-(4-methoxy-benzyl)-3,5-dimethyl-5H-thiophen-2-one::CHEMBL333467 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134359 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134359&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91932683 104024982 CHEMBL333467 ZINC13553932 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835653 CCCCCCCCCC1(C)SC(=O)C(C)C1=O InChI=1S/C15H26O2S/c1-4-5-6-7-8-9-10-11-15(3)13(16)12(2)14(17)18-15/h12H,4-11H2,1-3H3 ADKYAPHDFSKMEN-UHFFFAOYSA-N 50180116 3,5-dimethyl-4-hydroxy-5-nonyl-5H-thiophen-2-one::CHEMBL200363 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180116&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936485 104065254 CHEMBL200363 ZINC53262324 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835656 CC(c1ccccc1)C1(C)SC(=O)C(C)C1=O InChI=1S/C14H16O2S/c1-9-12(15)14(3,17-13(9)16)10(2)11-7-5-4-6-8-11/h4-10H,1-3H3 HQDSPUUMYQWFFK-UHFFFAOYSA-N 50180139 3,5-dimethyl-4-hydroxy-5-(1-phenylethyl)-5H-thiophen-2-one::CHEMBL201752 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180139 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180139&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936506 104065277 CHEMBL201752 ZINC28567230 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835661 CC1C(=O)SC(C)(C\C=C(/C)CC\C=C(/C)CCC=C(C)C)C1=O InChI=1S/C21H32O2S/c1-15(2)9-7-10-16(3)11-8-12-17(4)13-14-21(6)19(22)18(5)20(23)24-21/h9,11,13,18H,7-8,10,12,14H2,1-6H3/b16-11+,17-13+ GWRYTIHYLBUMGQ-IUBLYSDUSA-N 50180114 3,5-dimethyl-5-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl)-4-hydroxy-5H-thiophen-2-one::CHEMBL199771 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >100000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180114&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936483 104065252 CHEMBL199771 ZINC13678492 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835666 CC1C(=O)SC(C)(Cc2ccccc2C)C1=O InChI=1S/C14H16O2S/c1-9-6-4-5-7-11(9)8-14(3)12(15)10(2)13(16)17-14/h4-7,10H,8H2,1-3H3 GRWPBKZKPSWYDU-UHFFFAOYSA-N 50180125 3,5-dimethyl-4-hydroxy-5-(2-methylbenzyl)-5H-thiophen-2-one::CHEMBL381712 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180125 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180125&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936493 104065263 CHEMBL381712 ZINC28567604 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835667 CC1C(=O)SC(C)(Cc2cccc(C)c2)C1=O InChI=1S/C14H16O2S/c1-9-5-4-6-11(7-9)8-14(3)12(15)10(2)13(16)17-14/h4-7,10H,8H2,1-3H3 CHLBSFMJNDDPFR-UHFFFAOYSA-N 50180117 3,5-dimethyl-4-hydroxy-5-(3-methylbenzyl)-5H-thiophen-2-one::CHEMBL371660 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180117 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180117&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936486 104065255 CHEMBL371660 ZINC28566764 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835672 CC1C(=O)SC(C)(\C=C\C=C)C1=O InChI=1S/C10H12O2S/c1-4-5-6-10(3)8(11)7(2)9(12)13-10/h4-7H,1H2,2-3H3/b6-5+ BRCKKJBTFUMGCJ-AATRIKPKSA-N 50180128 5-((E)-buta-1,3-dienyl)-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one::CHEMBL203309 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis 400000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180128 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180128&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936496 104065266 CHEMBL203309 ZINC13678516 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835673 CCCCCCCCC(C)C1(C)SC(=O)C(C)C1=O InChI=1S/C16H28O2S/c1-5-6-7-8-9-10-11-12(2)16(4)14(17)13(3)15(18)19-16/h12-13H,5-11H2,1-4H3 LJSFNLIYIRWKNY-UHFFFAOYSA-N 50180129 3,5-dimethyl-4-hydroxy-5-(1-methylnonyl)-5H-thiophen-2-one::CHEMBL199516 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180129 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180129&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936497 104065267 CHEMBL199516 ZINC53262219 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835678 CCCCCC(C)C1(C)SC(=O)C(C)C1=O InChI=1S/C13H22O2S/c1-5-6-7-8-9(2)13(4)11(14)10(3)12(15)16-13/h9-10H,5-8H2,1-4H3 PAEKPHDFBYRRMM-UHFFFAOYSA-N 50180110 3,5-dimethyl-4-hydroxy-5-(1-methylhexyl)-5H-thiophen-2-one::CHEMBL199463 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180110 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180110&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936479 104065248 CHEMBL199463 ZINC28567319 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835686 CCCCC(CC)CC1(C)SC(=O)C(C)C1=O InChI=1S/C14H24O2S/c1-5-7-8-11(6-2)9-14(4)12(15)10(3)13(16)17-14/h10-11H,5-9H2,1-4H3 BJJKQCIHXLBKOW-UHFFFAOYSA-N 50180121 3,5-dimethyl-5-(2-ethylhexyl)-4-hydroxy-5H-thiophen-2-one::CHEMBL201227 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180121 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180121&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936490 104065259 CHEMBL201227 ZINC28567875 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835691 COc1ccccc1CC1(C)SC(=O)C(C)C1=O InChI=1S/C14H16O3S/c1-9-12(15)14(2,18-13(9)16)8-10-6-4-5-7-11(10)17-3/h4-7,9H,8H2,1-3H3 KRLPCVKPHNHATA-UHFFFAOYSA-N 50180124 3,5-dimethyl-4-hydroxy-5-(2-methoxybenzyl)-5H-thiophen-2-one::CHEMBL199810 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180124&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936492 104065262 CHEMBL199810 ZINC28566770 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835700 CC1C(=O)SC(C)(CCCc2ccccc2)C1=O InChI=1S/C15H18O2S/c1-11-13(16)15(2,18-14(11)17)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3 UYOHSXLSDNUHNF-UHFFFAOYSA-N 50180113 3,5-dimethyl-4-hydroxy-5-(3-phenylpropyl)-5H-thiophen-2-one::CHEMBL201423 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180113&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936482 104065251 CHEMBL201423 ZINC28567212 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835708 CC1C(=O)SC(C)(Cc2cccc(Cl)c2)C1=O InChI=1S/C13H13ClO2S/c1-8-11(15)13(2,17-12(8)16)7-9-4-3-5-10(14)6-9/h3-6,8H,7H2,1-2H3 SNHYTJYCKNVDLP-UHFFFAOYSA-N 50180131 5-(3-chlorobenzyl)-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one::CHEMBL201711 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180131&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936499 104065269 CHEMBL201711 ZINC28567608 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525 50835709 CC1C(=O)SC(C)(Cc2ccc(F)cc2)C1=O InChI=1S/C13H13FO2S/c1-8-11(15)13(2,17-12(8)16)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3 SRLDZLRFVVSJBE-UHFFFAOYSA-N 50180120 3,5-dimethyl-5-(4-fluorobenzyl)-4-hydroxy-5H-thiophen-2-one::CHEMBL381684 3-oxoacyl-[acyl-carrier-protein] synthase 2 Mycobacterium tuberculosis >1000000 ChEMBL 10.1021/jm050825p 10.7270/Q2NG4RDB 16392800 Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS National Institute of Allergy and Infectious Diseases http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50180120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50003449&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180120&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+2&column=ki&startPg=0&Increment=50&submit=Search 91936489 104065258 CHEMBL381684 ZINC28566532 1 MTELVTGKAFPYVVVTGIAMTTALATDAETTWKLLLDRQSGIRTLDDPFVEEFDLPVRIGGHLLEEFDHQLTRIELRRMGYLQRMSTVLSRRLWENAGSPEVDTNRLMVSIGTGLGSAEELVFSYDDMRARGMKAVSPLTVQKYMPNGAAAAVGLERHAKAGVMTPVSACASGAEAIARAWQQIVLGEADAAICGGVETRIEAVPIAGFAQMRIVMSTNNDDPAGACRPFDRDRDGFVFGEGGALLLIETEEHAKARGANILARIMGASITSDGFHMVAPDPNGERAGHAITRAIQLAGLAPGDIDHVNAHATGTQVGDLAEGRAINNALGGNRPAVYAPKSALGHSVGAVGAVESILTVLALRDQVIPPTLNLVNLDPEIDLDVVAGEPRPGNYRYAINNSFGFGGHNVAIAFGRY 3-oxoacyl-[acyl-carrier-protein] synthase 2 KASB_MYCTU P9WQD7 L0TBY1 P63456 Q10525