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 406533 C\C(C=C)=C/C1(C)SC(=O)C(C)=C1O InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,12H,1H2,2-4H3/b7-6+ SYQNUQSGEWNWKV-VOTSOKGWSA-N 233054 Thiolactomycin (TLM, 1) 3-oxoacyl-[acyl-carrier-protein] synthase 3 74900 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233054&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search TLM 4C6X,2VB8,2WGE,2WGG,1FJ4 5370280 340093148 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406534 CC1=C(O)C(C)(SC1=O)C#C InChI=1S/C8H8O2S/c1-4-8(3)6(9)5(2)7(10)11-8/h1,9H,2-3H3 NSJZMTAUTSUNGG-UHFFFAOYSA-N 233055 mtFabH inhibitor, 2 3-oxoacyl-[acyl-carrier-protein] synthase 3 100000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233055&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 129010588 340093149 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406535 CC(=O)c1ccc(cc1)C#CC1(C)SC(=O)C(C)=C1O InChI=1S/C16H14O3S/c1-10-14(18)16(3,20-15(10)19)9-8-12-4-6-13(7-5-12)11(2)17/h4-7,18H,1-3H3 QWEUWSJDSZYEDK-UHFFFAOYSA-N 233056 mtFabH inhibitor, 3 3-oxoacyl-[acyl-carrier-protein] synthase 3 4000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233056 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233056&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 101728393 340093150 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406536 CC(=O)c1ccc(cc1O)C#CC1(C)SC(=O)C(C)=C1O InChI=1S/C16H14O4S/c1-9-14(19)16(3,21-15(9)20)7-6-11-4-5-12(10(2)17)13(18)8-11/h4-5,8,18-19H,1-3H3 VDRRWOZTNDNTTK-UHFFFAOYSA-N 233057 mtFabH inhibitor, 4 3-oxoacyl-[acyl-carrier-protein] synthase 3 7000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233057&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 101728394 340093151 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406537 CC1=C(O)C(C)(SC1=O)C#Cc1ccccc1C#N InChI=1S/C15H11NO2S/c1-10-13(17)15(2,19-14(10)18)8-7-11-5-3-4-6-12(11)9-16/h3-6,17H,1-2H3 MZLGLPSNNKKYEJ-UHFFFAOYSA-N 233058 mtFabH inhibitor, 8 3-oxoacyl-[acyl-carrier-protein] synthase 3 48000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233058&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 101728397 340093152 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406538 CC1=C(O)C(C)(Cc2ccc(C)cc2)SC1=O InChI=1S/C14H16O2S/c1-9-4-6-11(7-5-9)8-14(3)12(15)10(2)13(16)17-14/h4-7,15H,8H2,1-3H3 RGYUMIUCPQIDNE-UHFFFAOYSA-N 233059 mtFabH inhibitor, 10 3-oxoacyl-[acyl-carrier-protein] synthase 3 112000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233059&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 11651714 340093153 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406539 CC1=C(O)C(C)(Cc2ccc(cc2)C(C)(C)C)SC1=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/h6-9,18H,10H2,1-5H3 DUIZIHUDYQARQY-UHFFFAOYSA-N 233060 mtFabH inhibitor, 11 3-oxoacyl-[acyl-carrier-protein] synthase 3 43000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233060&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 11522124 340093154 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406540 COc1ccc(CC2(C)SC(=O)C(C)=C2O)cc1 InChI=1S/C14H16O3S/c1-9-12(15)14(2,18-13(9)16)8-10-4-6-11(17-3)7-5-10/h4-7,15H,8H2,1-3H3 HJVCYBRHPHRMQC-UHFFFAOYSA-N 233061 mtFabH inhibitor, 12 3-oxoacyl-[acyl-carrier-protein] synthase 3 155000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233061&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 11666134 340093155 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406541 CC1=C(O)C(C)(Cc2ccc(F)cc2F)SC1=O InChI=1S/C13H12F2O2S/c1-7-11(16)13(2,18-12(7)17)6-8-3-4-9(14)5-10(8)15/h3-5,16H,6H2,1-2H3 RJNHVCDKROMLMD-UHFFFAOYSA-N 233062 mtFabH inhibitor, 15 3-oxoacyl-[acyl-carrier-protein] synthase 3 246000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233062&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44347692 340093156 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406542 CC1=C(O)C(C)(Cc2cc(F)cc(F)c2)SC1=O InChI=1S/C13H12F2O2S/c1-7-11(16)13(2,18-12(7)17)6-8-3-9(14)5-10(15)4-8/h3-5,16H,6H2,1-2H3 CDLTYAHCAQUVCK-UHFFFAOYSA-N 233063 mtFabH inhibitor, 16 3-oxoacyl-[acyl-carrier-protein] synthase 3 263000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233063&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44347317 340093157 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406543 CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccccc2)SC1=O InChI=1S/C19H18O2S/c1-13-17(20)19(2,22-18(13)21)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3 JXZLJTSEMXGMGW-UHFFFAOYSA-N 233064 mtFabH inhibitor, 17 3-oxoacyl-[acyl-carrier-protein] synthase 3 51000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233064&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44347693 340093158 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406544 CC1=C(O)C(C)(Cc2ccc(I)cc2)SC1=O InChI=1S/C13H13IO2S/c1-8-11(15)13(2,17-12(8)16)7-9-3-5-10(14)6-4-9/h3-6,15H,7H2,1-2H3 LGONZPJEKDSQJF-UHFFFAOYSA-N 233065 mtFabH inhibitor, 19 3-oxoacyl-[acyl-carrier-protein] synthase 3 153000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233065&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44347684 340093159 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406545 CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(C)cc2)SC1=O InChI=1S/C20H20O2S/c1-13-4-8-16(9-5-13)17-10-6-15(7-11-17)12-20(3)18(21)14(2)19(22)23-20/h4-11,21H,12H2,1-3H3 QVKCOYAILHTVFJ-UHFFFAOYSA-N 233066 mtFabH inhibitor, 20 3-oxoacyl-[acyl-carrier-protein] synthase 3 52000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233066&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44347314 340093160 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406546 CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(cc2)C(C)(C)C)SC1=O InChI=1S/C23H26O2S/c1-15-20(24)23(5,26-21(15)25)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)22(2,3)4/h6-13,24H,14H2,1-5H3 QGARMLQCHSHKGT-UHFFFAOYSA-N 233067 mtFabH inhibitor, 21 3-oxoacyl-[acyl-carrier-protein] synthase 3 25000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233067&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44347313 340093161 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406547 CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(C=O)cc2)SC1=O InChI=1S/C20H18O3S/c1-13-18(22)20(2,24-19(13)23)11-14-3-7-16(8-4-14)17-9-5-15(12-21)6-10-17/h3-10,12,22H,11H2,1-2H3 HUZQWFWSZXRSIW-UHFFFAOYSA-N 233068 mtFabH inhibitor, 22 3-oxoacyl-[acyl-carrier-protein] synthase 3 29000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233068&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44347311 340093162 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406548 CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(CO)cc2)SC1=O InChI=1S/C20H20O3S/c1-13-18(22)20(2,24-19(13)23)11-14-3-7-16(8-4-14)17-9-5-15(12-21)6-10-17/h3-10,21-22H,11-12H2,1-2H3 AFWKLTKWLJSPBV-UHFFFAOYSA-N 233069 mtFabH inhibitor, 23 3-oxoacyl-[acyl-carrier-protein] synthase 3 19000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233069&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44347300 340093163 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406549 CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(COCc3ccccc3)cc2)SC1=O InChI=1S/C27H26O3S/c1-19-25(28)27(2,31-26(19)29)16-20-8-12-23(13-9-20)24-14-10-22(11-15-24)18-30-17-21-6-4-3-5-7-21/h3-15,28H,16-18H2,1-2H3 GLTHVXPXRDWKAW-UHFFFAOYSA-N 233070 mtFabH inhibitor, 24 3-oxoacyl-[acyl-carrier-protein] synthase 3 17000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233070&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 9867366 340093164 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406550 CC(=O)Nc1cccc(c1)-c1ccc(CC2(C)SC(=O)C(C)=C2O)cc1 InChI=1S/C21H21NO3S/c1-13-19(24)21(3,26-20(13)25)12-15-7-9-16(10-8-15)17-5-4-6-18(11-17)22-14(2)23/h4-11,24H,12H2,1-3H3,(H,22,23) WNJXNWWFCAWIHE-UHFFFAOYSA-N 233071 mtFabH inhibitor, 25 3-oxoacyl-[acyl-carrier-protein] synthase 3 119000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233071&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44347310 340093165 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406551 CCCCCCCCCCCCCC1(C)SC(=O)C(C)=C1O InChI=1S/C19H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(3)17(20)16(2)18(21)22-19/h20H,4-15H2,1-3H3 BMCTWTBCLCVWQS-UHFFFAOYSA-N 233072 mtFabH inhibitor, 26 3-oxoacyl-[acyl-carrier-protein] synthase 3 80000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233072&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 11674268 340093166 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406552 CC1=C(O)C(C)(Cc2ccc(cc2)C(F)(F)F)SC1=O InChI=1S/C14H13F3O2S/c1-8-11(18)13(2,20-12(8)19)7-9-3-5-10(6-4-9)14(15,16)17/h3-6,18H,7H2,1-2H3 AKPMYHFJKUFWJG-UHFFFAOYSA-N 233073 mtFabH inhibitor, 27 3-oxoacyl-[acyl-carrier-protein] synthase 3 100000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233073&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 11493188 340093167 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406553 COC(=O)c1ccc(CC#CC2(C)SC(=O)C(C)=C2O)cc1 InChI=1S/C17H16O4S/c1-11-14(18)17(2,22-16(11)20)10-4-5-12-6-8-13(9-7-12)15(19)21-3/h6-9,18H,5H2,1-3H3 NJDGQWFIPLYFHS-UHFFFAOYSA-N 233074 mtFabH inhibitor, 5 3-oxoacyl-[acyl-carrier-protein] synthase 3 74000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233074&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 129010589 340093168 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406554 CC1=C(O)C(C)(SC1=O)C#CCc1ccc(cc1)[N+]([O-])=O InChI=1S/C15H13NO4S/c1-10-13(17)15(2,21-14(10)18)9-3-4-11-5-7-12(8-6-11)16(19)20/h5-8,17H,4H2,1-2H3 WVBHFNNUQZZOOH-UHFFFAOYSA-N 233075 mtFabH inhibitor, 6 3-oxoacyl-[acyl-carrier-protein] synthase 3 34000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233075&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 129010590 340093169 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406555 CC1=C(O)C(C)(SC1=O)C#CCc1ccc(cc1)C#N InChI=1S/C16H13NO2S/c1-11-14(18)16(2,20-15(11)19)9-3-4-12-5-7-13(10-17)8-6-12/h5-8,18H,4H2,1-2H3 NXKDGRMIWQLXIG-UHFFFAOYSA-N 233076 mtFabH inhibitor, 7 3-oxoacyl-[acyl-carrier-protein] synthase 3 7000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233076&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 129010591 340093170 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406556 CC1=C(O)C(C)(Cc2ccccc2)SC1=O InChI=1S/C13H14O2S/c1-9-11(14)13(2,16-12(9)15)8-10-6-4-3-5-7-10/h3-7,14H,8H2,1-2H3 MIPHSADSYSTBRF-UHFFFAOYSA-N 233077 mtFabH inhibitor, 9 3-oxoacyl-[acyl-carrier-protein] synthase 3 250000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233077&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 9964686 340093171 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406557 COc1ccc(cc1)C1(C)SC(=O)C(C)=C1O InChI=1S/C13H14O3S/c1-8-11(14)13(2,17-12(8)15)9-4-6-10(16-3)7-5-9/h4-7,14H,1-3H3 VMPCMIRPKRIRQR-UHFFFAOYSA-N 233078 mtFabH inhibitor, 13 3-oxoacyl-[acyl-carrier-protein] synthase 3 500000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233078&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 129010592 340093172 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406558 CC1=C(O)C(C)(Cc2cccc(Oc3ccccc3)c2)SC1=O InChI=1S/C19H18O3S/c1-13-17(20)19(2,23-18(13)21)12-14-7-6-10-16(11-14)22-15-8-4-3-5-9-15/h3-11,20H,12H2,1-2H3 OXBOERUJWULYPV-UHFFFAOYSA-N 233079 mtFabH inhibitor, 14 3-oxoacyl-[acyl-carrier-protein] synthase 3 52000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233079&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44347318 340093173 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406559 CC1=C(O)C(C)(Cc2cccc(c2)-c2ccccc2)SC1=O InChI=1S/C19H18O2S/c1-13-17(20)19(2,22-18(13)21)12-14-7-6-10-16(11-14)15-8-4-3-5-9-15/h3-11,20H,12H2,1-2H3 YBXJPEBALXZCJK-UHFFFAOYSA-N 233080 mtFabH inhibitor, 18 3-oxoacyl-[acyl-carrier-protein] synthase 3 215000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233080&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44347316 340093174 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406560 CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(Cl)cc2)SC1=O InChI=1S/C19H17ClO2S/c1-12-17(21)19(2,23-18(12)22)11-13-3-5-14(6-4-13)15-7-9-16(20)10-8-15/h3-10,21H,11H2,1-2H3 YDGQRXDGTDFZQZ-UHFFFAOYSA-N 233081 mtFabH inhibitor, 28 3-oxoacyl-[acyl-carrier-protein] synthase 3 130000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233081&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44443628 340093175 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406561 CC1=C(O)C(C)(Cc2ccc(cc2)-c2cccc(Cl)c2)SC1=O InChI=1S/C19H17ClO2S/c1-12-17(21)19(2,23-18(12)22)11-13-6-8-14(9-7-13)15-4-3-5-16(20)10-15/h3-10,21H,11H2,1-2H3 RIQBMYBAADNRBE-UHFFFAOYSA-N 233082 mtFabH inhibitor, 29 3-oxoacyl-[acyl-carrier-protein] synthase 3 156000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233082&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44443653 340093176 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406562 CC(=O)c1cccc(c1)-c1ccc(CC2(C)SC(=O)C(C)=C2O)cc1 InChI=1S/C21H20O3S/c1-13-19(23)21(3,25-20(13)24)12-15-7-9-16(10-8-15)18-6-4-5-17(11-18)14(2)22/h4-11,23H,12H2,1-3H3 GZMOTEWMTUFEKU-UHFFFAOYSA-N 233083 mtFabH inhibitor, 30 3-oxoacyl-[acyl-carrier-protein] synthase 3 150000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233083&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44443660 340093177 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406563 CC1=C(O)C(C)(Cc2ccc(cc2)-c2cc(F)cc(F)c2)SC1=O InChI=1S/C19H16F2O2S/c1-11-17(22)19(2,24-18(11)23)10-12-3-5-13(6-4-12)14-7-15(20)9-16(21)8-14/h3-9,22H,10H2,1-2H3 BYTCNDXHSJPLDO-UHFFFAOYSA-N 233084 mtFabH inhibitor, 31 3-oxoacyl-[acyl-carrier-protein] synthase 3 135000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233084&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44443663 340093178 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406564 CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(F)c(F)c2)SC1=O InChI=1S/C19H16F2O2S/c1-11-17(22)19(2,24-18(11)23)10-12-3-5-13(6-4-12)14-7-8-15(20)16(21)9-14/h3-9,22H,10H2,1-2H3 OZRBMMHLXMZGKX-UHFFFAOYSA-N 233085 mtFabH inhibitor, 32 3-oxoacyl-[acyl-carrier-protein] synthase 3 207000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233085&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44443665 340093179 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406565 CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(F)cc2)SC1=O InChI=1S/C19H17FO2S/c1-12-17(21)19(2,23-18(12)22)11-13-3-5-14(6-4-13)15-7-9-16(20)10-8-15/h3-10,21H,11H2,1-2H3 YJNXXGGUQLYOBB-UHFFFAOYSA-N 233086 mtFabH inhibitor, 33 3-oxoacyl-[acyl-carrier-protein] synthase 3 105000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233086&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44443666 340093180 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406566 CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(cc2)-c2ccccc2)SC1=O InChI=1S/C25H22O2S/c1-17-23(26)25(2,28-24(17)27)16-18-8-10-20(11-9-18)22-14-12-21(13-15-22)19-6-4-3-5-7-19/h3-15,26H,16H2,1-2H3 KORWPZLFVYKIER-UHFFFAOYSA-N 233087 mtFabH inhibitor, 34 3-oxoacyl-[acyl-carrier-protein] synthase 3 68000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233087&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44443668 340093181 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406567 CC(=O)c1ccc(s1)-c1ccc(CC2(C)SC(=O)C(C)=C2O)cc1 InChI=1S/C19H18O3S2/c1-11-17(21)19(3,24-18(11)22)10-13-4-6-14(7-5-13)16-9-8-15(23-16)12(2)20/h4-9,21H,10H2,1-3H3 APLFACQENWVHRX-UHFFFAOYSA-N 233088 mtFabH inhibitor, 35 3-oxoacyl-[acyl-carrier-protein] synthase 3 200000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233088&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44443670 340093182 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406568 CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(C)s2)SC1=O InChI=1S/C18H18O2S2/c1-11-4-9-15(21-11)14-7-5-13(6-8-14)10-18(3)16(19)12(2)17(20)22-18/h4-9,19H,10H2,1-3H3 IXYPQCFOHGCHGS-UHFFFAOYSA-N 233089 mtFabH inhibitor, 36 3-oxoacyl-[acyl-carrier-protein] synthase 3 86000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233089&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44443672 340093183 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406569 CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(cc2)C(O)=O)SC1=O InChI=1S/C20H18O4S/c1-12-17(21)20(2,25-19(12)24)11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18(22)23/h3-10,21H,11H2,1-2H3,(H,22,23) YMFUYZIFXVRDMR-UHFFFAOYSA-N 233090 mtFabH inhibitor, 37 3-oxoacyl-[acyl-carrier-protein] synthase 3 7000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233090&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 24180586 340093184 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406570 CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)SC1=O InChI=1S/C20H19NO3S/c1-12-17(22)20(2,25-19(12)24)11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18(21)23/h3-10,22H,11H2,1-2H3,(H2,21,23) KTBOOMBVZWRZQS-UHFFFAOYSA-N 233091 mtFabH inhibitor, 38 3-oxoacyl-[acyl-carrier-protein] synthase 3 4000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233091&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44443676 340093185 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406571 COC(=O)c1ccc(cc1)-c1ccc(CC2(C)SC(=O)C(C)=C2O)cc1 InChI=1S/C21H20O4S/c1-13-18(22)21(2,26-20(13)24)12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)19(23)25-3/h4-11,22H,12H2,1-3H3 TYYGYHXULUMPDG-UHFFFAOYSA-N 233092 mtFabH inhibitor, 39 3-oxoacyl-[acyl-carrier-protein] synthase 3 3000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233092&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44443678 340093186 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 406572 CC1=C(O)C(C)(Cc2cccc(c2)C(=O)c2ccccc2)SC1=O InChI=1S/C20H18O3S/c1-13-18(22)20(2,24-19(13)23)12-14-7-6-10-16(11-14)17(21)15-8-4-3-5-9-15/h3-11,22H,12H2,1-2H3 BXFRDXDUKVMADT-UHFFFAOYSA-N 233093 mtFabH inhibitor, 40 3-oxoacyl-[acyl-carrier-protein] synthase 3 283000 Curated from the literature by BindingDB 10.3109/14756360903049059 10.7270/Q22R3QJT 19968566 aid1802935 Lu, X; Chen, Y; You, Q China Pharmaceutical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=233093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=233093&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 480955 340093187 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245235 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 3 >500000 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham 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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91932672 104024969 CHEMBL123184 ZINC13553934 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245236 CC1C(=O)SC(C)(Cc2cccc(c2)-c2ccccc2)C1=O InChI=1S/C19H18O2S/c1-13-17(20)19(2,22-18(13)21)12-14-7-6-10-16(11-14)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3 GMHBCNROUKUIKW-UHFFFAOYSA-N 50134347 5-Biphenyl-3-ylmethyl-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL332417 3-oxoacyl-[acyl-carrier-protein] synthase 3 215000 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134347&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91932673 104024970 CHEMBL332417 ZINC13553944 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245237 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2cccc(NC(C)=O)c2)C1=O InChI=1S/C21H21NO3S/c1-13-19(24)21(3,26-20(13)25)12-15-7-9-16(10-8-15)17-5-4-6-18(11-17)22-14(2)23/h4-11,13H,12H2,1-3H3,(H,22,23) NOCWMDVQQQCJGT-UHFFFAOYSA-N 50134349 CHEMBL124117::N-[4'-(3-Hydroxy-2,4-dimethyl-5-oxo-2,5-dihydro-thiophen-2-ylmethyl)-biphenyl-3-yl]-acetamide 3-oxoacyl-[acyl-carrier-protein] synthase 3 119000 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134349 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134349&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91932674 104024972 CHEMBL124117 ZINC13553956 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245238 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(CO)cc2)C1=O InChI=1S/C20H20O3S/c1-13-18(22)20(2,24-19(13)23)11-14-3-7-16(8-4-14)17-9-5-15(12-21)6-10-17/h3-10,13,21H,11-12H2,1-2H3 ARSWEFWZYKJHJN-UHFFFAOYSA-N 50134348 4-Hydroxy-5-(4'-hydroxymethyl-biphenyl-4-ylmethyl)-3,5-dimethyl-5H-thiophen-2-one::CHEMBL122848 3-oxoacyl-[acyl-carrier-protein] synthase 3 19000 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134348&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 10337316 104024971 CHEMBL122848 ZINC13553954 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245239 CC1C(=O)SC(C)(Cc2ccccc2)C1=O InChI=1S/C13H14O2S/c1-9-11(14)13(2,16-12(9)15)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 IXQWROUKKBPBRI-UHFFFAOYSA-N 50134350 5-Benzyl-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::5-benzyl-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one::CHEMBL123876 3-oxoacyl-[acyl-carrier-protein] synthase 3 >250000 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134350&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 75665777 104024973 CHEMBL123876 ZINC13553926 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245240 CC1C(=O)SC(C)(Cc2cc(F)cc(F)c2)C1=O InChI=1S/C13H12F2O2S/c1-7-11(16)13(2,18-12(7)17)6-8-3-9(14)5-10(15)4-8/h3-5,7H,6H2,1-2H3 KSLVQTGXSWEYIO-UHFFFAOYSA-N 50134353 5-(3,5-Difluoro-benzyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL122699 3-oxoacyl-[acyl-carrier-protein] synthase 3 263000 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134353&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91932677 104024976 CHEMBL122699 ZINC13553940 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245241 CC1C(=O)SC(C)(Cc2cccc(Oc3ccccc3)c2)C1=O InChI=1S/C19H18O3S/c1-13-17(20)19(2,23-18(13)21)12-14-7-6-10-16(11-14)22-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3 NVAFOHJQQOQWCN-UHFFFAOYSA-N 50134351 4-Hydroxy-3,5-dimethyl-5-(3-phenoxy-benzyl)-5H-thiophen-2-one::CHEMBL332364 3-oxoacyl-[acyl-carrier-protein] synthase 3 52000 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134351&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91932675 104024974 CHEMBL332364 ZINC13553936 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245242 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(C=O)cc2)C1=O InChI=1S/C20H18O3S/c1-13-18(22)20(2,24-19(13)23)11-14-3-7-16(8-4-14)17-9-5-15(12-21)6-10-17/h3-10,12-13H,11H2,1-2H3 JAVMDZBXQKOBNG-UHFFFAOYSA-N 50134352 4'-(3-Hydroxy-2,4-dimethyl-5-oxo-2,5-dihydro-thiophen-2-ylmethyl)-biphenyl-4-carbaldehyde::CHEMBL123181 3-oxoacyl-[acyl-carrier-protein] synthase 3 29000 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134352&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91932676 104024975 CHEMBL123181 ZINC13553952 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245243 CC1C(=O)SC(C)(Cc2ccc(I)cc2)C1=O InChI=1S/C13H13IO2S/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 LBJDWODOCSABNK-UHFFFAOYSA-N 50134354 4-Hydroxy-5-(4-iodo-benzyl)-3,5-dimethyl-5H-thiophen-2-one::CHEMBL123998 3-oxoacyl-[acyl-carrier-protein] synthase 3 153000 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134354&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91932678 104024977 CHEMBL123998 ZINC13553946 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245244 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 3 43000 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham 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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91932679 104024978 CHEMBL333571 ZINC13553930 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245245 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 3 112000 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham 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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91932682 104024981 CHEMBL432983 ZINC13553928 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245246 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 3 155000 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham 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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91932683 104024982 CHEMBL333467 ZINC13553932 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245247 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(C)cc2)C1=O InChI=1S/C20H20O2S/c1-13-4-8-16(9-5-13)17-10-6-15(7-11-17)12-20(3)18(21)14(2)19(22)23-20/h4-11,14H,12H2,1-3H3 AHOLWQOKXUOTPP-UHFFFAOYSA-N 50134360 4-Hydroxy-3,5-dimethyl-5-(4'-methyl-biphenyl-4-ylmethyl)-5H-thiophen-2-one::CHEMBL123595 3-oxoacyl-[acyl-carrier-protein] synthase 3 52000 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134360 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134360&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91932684 104024983 CHEMBL123595 ZINC13553948 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245248 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccccc2)C1=O InChI=1S/C19H18O2S/c1-13-17(20)19(2,22-18(13)21)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3 GNNCAFMXBFICOT-UHFFFAOYSA-N 50134361 5-Biphenyl-4-ylmethyl-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL333742 3-oxoacyl-[acyl-carrier-protein] synthase 3 51000 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134361 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134361&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91932685 104024984 CHEMBL333742 ZINC13553942 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245249 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)C(C)(C)C)C1=O InChI=1S/C23H26O2S/c1-15-20(24)23(5,26-21(15)25)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)22(2,3)4/h6-13,15H,14H2,1-5H3 CKHNVMICQILYMB-UHFFFAOYSA-N 50134356 5-(4'-tert-Butyl-biphenyl-4-ylmethyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL123594 3-oxoacyl-[acyl-carrier-protein] synthase 3 25000 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134356&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91932680 104024979 CHEMBL123594 ZINC13553950 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245250 CC1C(=O)SC(C)(Cc2ccc(F)cc2F)C1=O InChI=1S/C13H12F2O2S/c1-7-11(16)13(2,18-12(7)17)6-8-3-4-9(14)5-10(8)15/h3-5,7H,6H2,1-2H3 JKBFWVGNESKGRB-UHFFFAOYSA-N 50134357 5-(2,4-Difluoro-benzyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL331729 3-oxoacyl-[acyl-carrier-protein] synthase 3 246000 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134357&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91932681 104024980 CHEMBL331729 ZINC13553938 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245251 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(COCc3ccccc3)cc2)C1=O InChI=1S/C27H26O3S/c1-19-25(28)27(2,31-26(19)29)16-20-8-12-23(13-9-20)24-14-10-22(11-15-24)18-30-17-21-6-4-3-5-7-21/h3-15,19H,16-18H2,1-2H3 REQMPZIMHKLHER-UHFFFAOYSA-N 50134362 5-(4'-Benzyloxymethyl-biphenyl-4-ylmethyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL124220 3-oxoacyl-[acyl-carrier-protein] synthase 3 17000 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134362 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134362&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 10071356 104024985 CHEMBL124220 ZINC09294772 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50245252 CC1C(=O)SC(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- IKJRVRCIDNWYPZ-SREVYHEPSA-N 50134363 4-Hydroxy-3,5-dimethyl-5-((Z)-2-methyl-buta-1,3-dienyl)-5H-thiophen-2-one::CHEMBL331347 3-oxoacyl-[acyl-carrier-protein] synthase 3 74900.0 ChEMBL 10.1016/j.bmcl.2003.08.015 10.7270/Q20864R5 14552758 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS The University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134363&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91932686 104024986 CHEMBL331347 ZINC53007800 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835502 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936468 104065237 CHEMBL201541 ZINC28567372 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835503 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91932682 104024981 CHEMBL432983 ZINC13553928 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835504 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936473 104065242 CHEMBL372341 ZINC53151257 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835508 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936469 104065238 CHEMBL199900 ZINC28566978 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835509 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936470 104065239 CHEMBL202817 ZINC28567208 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835510 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936471 104065240 CHEMBL436318 ZINC28566662 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835511 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91932682 104024981 CHEMBL432983 ZINC13553928 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835512 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936476 104065245 CHEMBL201261 ZINC28567366 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835513 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 3 >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=50180108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936477 104065246 CHEMBL382958 ZINC28566667 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835519 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936478 104065247 CHEMBL380904 ZINC28567656 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835521 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936482 104065251 CHEMBL201423 ZINC28567212 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835522 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936481 104065250 CHEMBL379235 ZINC28567362 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835523 CCCCCCCCCCC1(C)SC(=O)C(C)C1=O InChI=1S/C16H28O2S/c1-4-5-6-7-8-9-10-11-12-16(3)14(17)13(2)15(18)19-16/h13H,4-12H2,1-3H3 MFIOMTDDBHTONV-UHFFFAOYSA-N 50173503 3,5-dimethyl-5-decyl-4-hydroxy-5H-thiophen-2-one::5-Decyl-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL381463 3-oxoacyl-[acyl-carrier-protein] synthase 3 >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=50173503 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173503&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91220304 104059418 CHEMBL381463 ZINC53160879 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835524 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936484 104065253 CHEMBL203154 ZINC28567658 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835525 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 3 >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=50180116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936485 104065254 CHEMBL200363 ZINC53262324 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835527 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936477 104065246 CHEMBL382958 ZINC28566667 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835528 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91932683 104024982 CHEMBL333467 ZINC13553932 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835529 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936486 104065255 CHEMBL371660 ZINC28566764 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835531 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936487 104065256 CHEMBL199428 ZINC28566546 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835532 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 3 >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=50180120 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936489 104065258 CHEMBL381684 ZINC28566532 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835535 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936485 104065254 CHEMBL200363 ZINC53262324 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835536 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936479 104065248 CHEMBL199463 ZINC28567319 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835538 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936478 104065247 CHEMBL380904 ZINC28567656 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835544 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936489 104065258 CHEMBL381684 ZINC28566532 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835545 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936488 104065257 CHEMBL198344 ZINC28566542 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835546 CC1C(=O)SC(C)(Cc2ccc(cc2)C(F)(F)F)C1=O InChI=1S/C14H13F3O2S/c1-8-11(18)13(2,20-12(8)19)7-9-3-5-10(6-4-9)14(15,16)17/h3-6,8H,7H2,1-2H3 BVAIMRZEKVLVDO-UHFFFAOYSA-N 50180126 3,5-dimethyl-4-hydroxy-5-(4-trifluoromethylbenzyl)-5H-thiophen-2-one::CHEMBL200101 3-oxoacyl-[acyl-carrier-protein] synthase 3 >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=50180126 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180126&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91936494 104065264 CHEMBL200101 ZINC13678504 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835550 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 3 25000 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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936496 104065266 CHEMBL203309 ZINC13678516 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835551 CC1C(=O)SC(C)(CC=C(C)C)C1=O InChI=1S/C11H16O2S/c1-7(2)5-6-11(4)9(12)8(3)10(13)14-11/h5,8H,6H2,1-4H3 XBWIERWTYWURJL-UHFFFAOYSA-N 50173507 3,5-dimethyl-4-hydroxy-5-(3-methylbut-2-enyl)-5H-thiophen-2-one::4-Hydroxy-3,5-dimethyl-5-(3-methyl-but-2-enyl)-5H-thiophen-2-one::CHEMBL196418 3-oxoacyl-[acyl-carrier-protein] synthase 3 >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=50173507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173507&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 90804659 104059419 CHEMBL196418 ZINC13678468 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835553 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 3 >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=50134355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91932679 104024978 CHEMBL333571 ZINC13553930 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835563 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936472 104065241 CHEMBL200240 ZINC53262290 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835565 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936484 104065253 CHEMBL203154 ZINC28567658 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835566 CCCCCCCCCCCCCC1(C)SC(=O)C(C)C1=O InChI=1S/C19H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(3)17(20)16(2)18(21)22-19/h16H,4-15H2,1-3H3 RHUIMNLCHVKKBN-UHFFFAOYSA-N 50180130 3,5-dimethyl-4-hydroxy-5-tridecyl-5H-thiophen-2-one::CHEMBL200803 3-oxoacyl-[acyl-carrier-protein] synthase 3 80000 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=50180130 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180130&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91936498 104065268 CHEMBL200803 ZINC53262353 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835569 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 3 4000 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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search TLM 4C6X,2VB8,2WGE,2WGG,1FJ4 91935543 104098712 CHEMBL399043 ZINC38145872 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835572 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936493 104065263 CHEMBL381712 ZINC28567604 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835574 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 3 >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=50180105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936474 104065243 CHEMBL381559 ZINC28567222 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835577 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91932672 104024969 CHEMBL123184 ZINC13553934 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835579 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936470 104065239 CHEMBL202817 ZINC28567208 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835580 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 3 75000 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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936497 104065267 CHEMBL199516 ZINC53262219 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835581 CC1C(=O)SC(C)(CCCCC=C)C1=O InChI=1S/C12H18O2S/c1-4-5-6-7-8-12(3)10(13)9(2)11(14)15-12/h4,9H,1,5-8H2,2-3H3 AMQKFHRFUHNFEZ-UHFFFAOYSA-N 50180134 3,5-dimethyl-5-(hex-5-enyl)-4-hydroxy-5H-thiophen-2-one::CHEMBL200852 3-oxoacyl-[acyl-carrier-protein] synthase 3 >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=50180134 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180134&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91936501 104065272 CHEMBL200852 ZINC13678488 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835583 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936487 104065256 CHEMBL199428 ZINC28566546 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835587 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936475 104065244 CHEMBL199977 ZINC28566791 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835588 CCCCCCCCCCCCCCC1(C)SC(=O)C(C)C1=O InChI=1S/C20H36O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(3)18(21)17(2)19(22)23-20/h17H,4-16H2,1-3H3 DQRPIZQTOYKEHL-UHFFFAOYSA-N 50180127 3,5-dimethyl-4-hydroxy-5-tetradecyl-5H-thiophen-2-one::CHEMBL200655 3-oxoacyl-[acyl-carrier-protein] synthase 3 80000 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=50180127 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180127&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91936495 104065265 CHEMBL200655 ZINC53262363 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835594 CCC(C)C1(C)SC(=O)C(C)C1=O InChI=1S/C10H16O2S/c1-5-6(2)10(4)8(11)7(3)9(12)13-10/h6-7H,5H2,1-4H3 ZJPGEWJWFGBICK-UHFFFAOYSA-N 50180136 3,5-dimethyl-4-hydroxy-5-(1-methylpropyl)-5H-thiophen-2-one::CHEMBL383601 3-oxoacyl-[acyl-carrier-protein] synthase 3 >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=50180136 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180136&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91936503 104065274 CHEMBL383601 ZINC13678442 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835599 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91932672 104024969 CHEMBL123184 ZINC13553934 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835600 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 3 >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=50180124 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936492 104065262 CHEMBL199810 ZINC28566770 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835605 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936490 104065259 CHEMBL201227 ZINC28567875 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835608 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936479 104065248 CHEMBL199463 ZINC28567319 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835611 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936472 104065241 CHEMBL200240 ZINC53262290 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835612 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936504 104065275 CHEMBL383537 ZINC28567654 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835614 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936476 104065245 CHEMBL201261 ZINC28567366 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835615 CC1C(=O)SC(C)(Cc2ccc(Cl)cc2Cl)C1=O InChI=1S/C13H12Cl2O2S/c1-7-11(16)13(2,18-12(7)17)6-8-3-4-9(14)5-10(8)15/h3-5,7H,6H2,1-2H3 QEUNSUZABLYMIF-UHFFFAOYSA-N 50180138 5-(2,4-dichlorobenzyl)-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one::CHEMBL200281 3-oxoacyl-[acyl-carrier-protein] synthase 3 >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=50180138 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180138&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91936505 104065276 CHEMBL200281 ZINC13678500 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835618 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936500 104065271 CHEMBL373005 ZINC28566538 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835619 CC1C(=O)SC(C)(CCCC=C)C1=O InChI=1S/C11H16O2S/c1-4-5-6-7-11(3)9(12)8(2)10(13)14-11/h4,8H,1,5-7H2,2-3H3 JPUQUYACRCHTNA-UHFFFAOYSA-N 50180140 3,5-dimethyl-4-hydroxy-5-(pent-4-enyl)-5H-thiophen-2-one::CHEMBL199776 3-oxoacyl-[acyl-carrier-protein] synthase 3 >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=50180140 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180140&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91936507 104065278 CHEMBL199776 ZINC13678476 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835621 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 3 87000 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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search TLM 4C6X,2VB8,2WGE,2WGG,1FJ4 91935543 104098712 CHEMBL399043 ZINC38145872 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835623 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936504 104065275 CHEMBL383537 ZINC28567654 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835629 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936500 104065271 CHEMBL373005 ZINC28566538 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835632 CCCCCCCCCCCCC1(C)SC(=O)C(C)C1=O InChI=1S/C18H32O2S/c1-4-5-6-7-8-9-10-11-12-13-14-18(3)16(19)15(2)17(20)21-18/h15H,4-14H2,1-3H3 WLBFJSWBGJQQJC-UHFFFAOYSA-N 50180141 3,5-dimethyl-5-dodecyl-4-hydroxy-5H-thiophen-2-one::CHEMBL199542 3-oxoacyl-[acyl-carrier-protein] synthase 3 50000 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=50180141 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180141&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91936508 104065279 CHEMBL199542 ZINC53262251 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835636 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936468 104065237 CHEMBL201541 ZINC28567372 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835637 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936492 104065262 CHEMBL199810 ZINC28566770 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835641 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936491 104065260 CHEMBL199976 ZINC53262296 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835643 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936481 104065250 CHEMBL379235 ZINC28567362 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835644 CCCCCCCCC1(C)SC(=O)C(C)C1=O InChI=1S/C14H24O2S/c1-4-5-6-7-8-9-10-14(3)12(15)11(2)13(16)17-14/h11H,4-10H2,1-3H3 WQJGODZWMFTIGC-UHFFFAOYSA-N 50173517 3,5-dimethyl-4-hydroxy-5-octyl-5H-thiophen-2-one::4-Hydroxy-3,5-dimethyl-5-octyl-5H-thiophen-2-one::CHEMBL196776 3-oxoacyl-[acyl-carrier-protein] synthase 3 >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=50173517 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50173517&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91081283 104059421 CHEMBL196776 ZINC53254252 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835646 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936506 104065277 CHEMBL201752 ZINC28567230 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835650 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 3 65000 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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936491 104065260 CHEMBL199976 ZINC53262296 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835651 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936490 104065259 CHEMBL201227 ZINC28567875 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835654 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936493 104065263 CHEMBL381712 ZINC28567604 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835655 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936474 104065243 CHEMBL381559 ZINC28567222 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835657 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936486 104065255 CHEMBL371660 ZINC28566764 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835659 CC1C(=O)SC(C)(Cc2ccc(Cl)c(Cl)c2)C1=O InChI=1S/C13H12Cl2O2S/c1-7-11(16)13(2,18-12(7)17)6-8-3-4-9(14)10(15)5-8/h3-5,7H,6H2,1-2H3 DQQKVOYYBBNTGA-UHFFFAOYSA-N 50180142 5-(3,4-dichlorobenzyl)-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one::CHEMBL383600 3-oxoacyl-[acyl-carrier-protein] synthase 3 >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=50180142 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180142&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91936509 104065280 CHEMBL383600 ZINC13678508 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835665 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91048881 104065261 CHEMBL202928 ZINC05882656 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835670 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936499 104065269 CHEMBL201711 ZINC28567608 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835671 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936469 104065238 CHEMBL199900 ZINC28566978 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835674 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91932679 104024978 CHEMBL333571 ZINC13553930 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835675 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936475 104065244 CHEMBL199977 ZINC28566791 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835679 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91932683 104024982 CHEMBL333467 ZINC13553932 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835681 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936497 104065267 CHEMBL199516 ZINC53262219 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835682 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 3 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=50180104 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936473 104065242 CHEMBL372341 ZINC53151257 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835687 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91048881 104065261 CHEMBL202928 ZINC05882656 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835688 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936471 104065240 CHEMBL436318 ZINC28566662 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835689 CC1C(=O)SC(C)(C2CCCCC2)C1=O InChI=1S/C12H18O2S/c1-8-10(13)12(2,15-11(8)14)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3 NSUIPHZSGVWZPD-UHFFFAOYSA-N 50180144 5-cyclohexyl-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one::CHEMBL199436 3-oxoacyl-[acyl-carrier-protein] synthase 3 >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=50180144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50180144&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91936511 104065282 CHEMBL199436 ZINC13678457 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835690 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 3 50000 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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936502 104065273 CHEMBL382200 ZINC53160904 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835692 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 3 >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=50180131 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936499 104065269 CHEMBL201711 ZINC28567608 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835694 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936488 104065257 CHEMBL198344 ZINC28566542 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835698 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936482 104065251 CHEMBL201423 ZINC28567212 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50835699 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 3 >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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search 91936506 104065277 CHEMBL201752 ZINC28567230 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50851101 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2cccc(c2)C(C)=O)C1=O InChI=1S/C21H20O3S/c1-13-19(23)21(3,25-20(13)24)12-15-7-9-16(10-8-15)18-6-4-5-17(11-18)14(2)22/h4-11,13H,12H2,1-3H3 HELNUCPCXSQUQA-UHFFFAOYSA-N 50220619 5-(3'-acetyl-biphenyl-4-ylmethyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL249210 3-oxoacyl-[acyl-carrier-protein] synthase 3 150000 ChEMBL 10.1016/j.bmcl.2007.07.082 10.7270/Q2QF8TPJ 17766110 Bhowruth, V; Brown, AK; Senior, SJ; Snaith, JS; Besra, GS University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220619 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220619&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91935600 104093495 CHEMBL249210 ZINC28956510 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50851102 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 3 75000 ChEMBL 10.1016/j.bmcl.2007.07.082 10.7270/Q2QF8TPJ 17766110 Bhowruth, V; Brown, AK; Senior, SJ; Snaith, JS; Besra, GS University of Birmingham 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=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&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+3&column=ki&startPg=0&Increment=50&submit=Search TLM 4C6X,2VB8,2WGE,2WGG,1FJ4 91935543 104098712 CHEMBL399043 ZINC38145872 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50851103 CC1C(=O)SC(C)(Cc2ccc(cc2)C(=O)c2ccccc2)C1=O InChI=1S/C20H18O3S/c1-13-18(22)20(2,24-19(13)23)12-14-8-10-16(11-9-14)17(21)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3 GYDRFPNNAMYDNO-UHFFFAOYSA-N 50220621 5-(4-benzoyl-benzyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL400501 3-oxoacyl-[acyl-carrier-protein] synthase 3 283000 ChEMBL 10.1016/j.bmcl.2007.07.082 10.7270/Q2QF8TPJ 17766110 Bhowruth, V; Brown, AK; Senior, SJ; Snaith, JS; Besra, GS University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220621 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220621&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91935601 104093497 CHEMBL400501 ZINC28956569 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50851104 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(F)cc2)C1=O InChI=1S/C19H17FO2S/c1-12-17(21)19(2,23-18(12)22)11-13-3-5-14(6-4-13)15-7-9-16(20)10-8-15/h3-10,12H,11H2,1-2H3 PQTMSGVZUGBSRD-UHFFFAOYSA-N 50220622 5-(4'-fluoro-biphenyl-4-ylmethyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL250818 3-oxoacyl-[acyl-carrier-protein] synthase 3 105000 ChEMBL 10.1016/j.bmcl.2007.07.082 10.7270/Q2QF8TPJ 17766110 Bhowruth, V; Brown, AK; Senior, SJ; Snaith, JS; Besra, GS University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220622 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220622&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91935602 104093498 CHEMBL250818 ZINC28956531 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50851105 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2cccc(Cl)c2)C1=O InChI=1S/C19H17ClO2S/c1-12-17(21)19(2,23-18(12)22)11-13-6-8-14(9-7-13)15-4-3-5-16(20)10-15/h3-10,12H,11H2,1-2H3 HWEJLMISAIARBL-UHFFFAOYSA-N 50220623 5-(3'-chloro-biphenyl-4-ylmethyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL400279 3-oxoacyl-[acyl-carrier-protein] synthase 3 156000 ChEMBL 10.1016/j.bmcl.2007.07.082 10.7270/Q2QF8TPJ 17766110 Bhowruth, V; Brown, AK; Senior, SJ; Snaith, JS; Besra, GS University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220623 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220623&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91935603 104093499 CHEMBL400279 ZINC28956487 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50851106 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)C(N)=O)C1=O InChI=1S/C20H19NO3S/c1-12-17(22)20(2,25-19(12)24)11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18(21)23/h3-10,12H,11H2,1-2H3,(H2,21,23) JVOIFHQOWOVREC-UHFFFAOYSA-N 50220624 4'-(3-hydroxy-2,4-dimethyl-5-oxo-2,5-dihydro-thiophen-2-ylmethyl)-biphenyl-4-carboxylic acid amide::CHEMBL399477 3-oxoacyl-[acyl-carrier-protein] synthase 3 4000 ChEMBL 10.1016/j.bmcl.2007.07.082 10.7270/Q2QF8TPJ 17766110 Bhowruth, V; Brown, AK; Senior, SJ; Snaith, JS; Besra, GS University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220624 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220624&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91935604 104093500 CHEMBL399477 ZINC28956555 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50851107 CC1C(=O)SC(C)(Cc2ccc(Oc3ccccc3)cc2)C1=O InChI=1S/C19H18O3S/c1-13-17(20)19(2,23-18(13)21)12-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3 ZRNQPLQZPDKUGI-UHFFFAOYSA-N 50220625 4-hydroxy-3,5-dimethyl-5-(4-phenoxy-benzyl)-5H-thiophen-2-one::CHEMBL250630 3-oxoacyl-[acyl-carrier-protein] synthase 3 15000 ChEMBL 10.1016/j.bmcl.2007.07.082 10.7270/Q2QF8TPJ 17766110 Bhowruth, V; Brown, AK; Senior, SJ; Snaith, JS; Besra, GS University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220625 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220625&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91935605 104093501 CHEMBL250630 ZINC28956575 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50851108 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2cc(F)cc(F)c2)C1=O InChI=1S/C19H16F2O2S/c1-11-17(22)19(2,24-18(11)23)10-12-3-5-13(6-4-12)14-7-15(20)9-16(21)8-14/h3-9,11H,10H2,1-2H3 LMJBWKNSUUFNQH-UHFFFAOYSA-N 50220626 5-(3',5'-difluoro-biphenyl-4-ylmethyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL249417 3-oxoacyl-[acyl-carrier-protein] synthase 3 135000 ChEMBL 10.1016/j.bmcl.2007.07.082 10.7270/Q2QF8TPJ 17766110 Bhowruth, V; Brown, AK; Senior, SJ; Snaith, JS; Besra, GS University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220626 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220626&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91935606 104093502 CHEMBL249417 ZINC28956522 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50851109 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)C(C)=O)C1=O InChI=1S/C21H20O3S/c1-13-19(23)21(3,25-20(13)24)12-15-4-6-17(7-5-15)18-10-8-16(9-11-18)14(2)22/h4-11,13H,12H2,1-3H3 VQRZDORXXZWESD-UHFFFAOYSA-N 50220627 5-(4'-acetyl-biphenyl-4-ylmethyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL249805 3-oxoacyl-[acyl-carrier-protein] synthase 3 54000 ChEMBL 10.1016/j.bmcl.2007.07.082 10.7270/Q2QF8TPJ 17766110 Bhowruth, V; Brown, AK; Senior, SJ; Snaith, JS; Besra, GS University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220627 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220627&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91935607 104093503 CHEMBL249805 ZINC28956500 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50851110 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(F)c(F)c2)C1=O InChI=1S/C19H16F2O2S/c1-11-17(22)19(2,24-18(11)23)10-12-3-5-13(6-4-12)14-7-8-15(20)16(21)9-14/h3-9,11H,10H2,1-2H3 VZDCHEBCDWQLCF-UHFFFAOYSA-N 50220628 5-(3',4'-difluoro-biphenyl-4-ylmethyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL401380 3-oxoacyl-[acyl-carrier-protein] synthase 3 207000 ChEMBL 10.1016/j.bmcl.2007.07.082 10.7270/Q2QF8TPJ 17766110 Bhowruth, V; Brown, AK; Senior, SJ; Snaith, JS; Besra, GS University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220628 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220628&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91935608 104093504 CHEMBL401380 ZINC28956527 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50851111 COC(=O)c1ccc(cc1)-c1ccc(CC2(C)SC(=O)C(C)C2=O)cc1 InChI=1S/C21H20O4S/c1-13-18(22)21(2,26-20(13)24)12-14-4-6-15(7-5-14)16-8-10-17(11-9-16)19(23)25-3/h4-11,13H,12H2,1-3H3 CSQQEQOXNNJTCA-UHFFFAOYSA-N 50220630 5-(4-methoxycarbonyl-biphenyl-4-ylmethyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL250431 3-oxoacyl-[acyl-carrier-protein] synthase 3 3000 ChEMBL 10.1016/j.bmcl.2007.07.082 10.7270/Q2QF8TPJ 17766110 Bhowruth, V; Brown, AK; Senior, SJ; Snaith, JS; Besra, GS University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220630 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220630&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91935610 104093506 CHEMBL250431 ZINC28956563 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50851112 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)C(O)=O)C1=O InChI=1S/C20H18O4S/c1-12-17(21)20(2,25-19(12)24)11-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18(22)23/h3-10,12H,11H2,1-2H3,(H,22,23) IEJPCOBEYSXVIR-UHFFFAOYSA-N 50220629 4'-(3-hydroxy-2,4-dimethyl-5-oxo-2,5-dihydro-thiophen-2-ylmethyl)-biphenyl-4-carboxylic acid::CHEMBL250429 3-oxoacyl-[acyl-carrier-protein] synthase 3 7000 ChEMBL 10.1016/j.bmcl.2007.07.082 10.7270/Q2QF8TPJ 17766110 Bhowruth, V; Brown, AK; Senior, SJ; Snaith, JS; Besra, GS University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220629 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220629&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91935609 104093505 CHEMBL250429 ZINC28956551 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50851113 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(Cl)cc2)C1=O InChI=1S/C19H17ClO2S/c1-12-17(21)19(2,23-18(12)22)11-13-3-5-14(6-4-13)15-7-9-16(20)10-8-15/h3-10,12H,11H2,1-2H3 ITHNAPRIESNTPI-UHFFFAOYSA-N 50220631 5-(4'-chloro-biphenyl-4-ylmethyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL251035 3-oxoacyl-[acyl-carrier-protein] synthase 3 130000 ChEMBL 10.1016/j.bmcl.2007.07.082 10.7270/Q2QF8TPJ 17766110 Bhowruth, V; Brown, AK; Senior, SJ; Snaith, JS; Besra, GS University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220631 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220631&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91935611 104093507 CHEMBL251035 ZINC28956401 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50851114 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(s2)C(C)=O)C1=O InChI=1S/C19H18O3S2/c1-11-17(21)19(3,24-18(11)22)10-13-4-6-14(7-5-13)16-9-8-15(23-16)12(2)20/h4-9,11H,10H2,1-3H3 XEQHWSXEFMCDDT-UHFFFAOYSA-N 50220633 5-[4-(5-acetyl-thiophen-2-yl)-benzyl]-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one::CHEMBL250823 3-oxoacyl-[acyl-carrier-protein] synthase 3 200000 ChEMBL 10.1016/j.bmcl.2007.07.082 10.7270/Q2QF8TPJ 17766110 Bhowruth, V; Brown, AK; Senior, SJ; Snaith, JS; Besra, GS University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220633 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220633&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91935613 104093509 CHEMBL250823 ZINC28956540 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50851115 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(C)s2)C1=O InChI=1S/C18H18O2S2/c1-11-4-9-15(21-11)14-7-5-13(6-8-14)10-18(3)16(19)12(2)17(20)22-18/h4-9,12H,10H2,1-3H3 WKHYKAJCGGSRGA-UHFFFAOYSA-N 50220632 4-hydroxy-3,5-dimethyl-5-[4-(5-methyl-thiophen-2-yl)-benzyl]-5H-thiophen-2-one::CHEMBL250824 3-oxoacyl-[acyl-carrier-protein] synthase 3 86000 ChEMBL 10.1016/j.bmcl.2007.07.082 10.7270/Q2QF8TPJ 17766110 Bhowruth, V; Brown, AK; Senior, SJ; Snaith, JS; Besra, GS University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220632 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220632&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91935612 104093508 CHEMBL250824 ZINC28956544 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50851116 CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)-c2ccccc2)C1=O InChI=1S/C25H22O2S/c1-17-23(26)25(2,28-24(17)27)16-18-8-10-20(11-9-18)22-14-12-21(13-15-22)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3 FVEKTJPBXMFDDX-UHFFFAOYSA-N 50220634 4-hydroxy-3,5-dimethyl-5-[1,1';4',1'']terphenyl-4-ylmethyl-5H-thiophen-2-one::CHEMBL250819 3-oxoacyl-[acyl-carrier-protein] synthase 3 68000 ChEMBL 10.1016/j.bmcl.2007.07.082 10.7270/Q2QF8TPJ 17766110 Bhowruth, V; Brown, AK; Senior, SJ; Snaith, JS; Besra, GS University of Birmingham http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50220634 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50220634&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 91935614 104093510 CHEMBL250819 ZINC28956537 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50876114 Oc1cc(c(O)c2ccccc12)S(=O)(=O)c1ccc2ccccc2c1 InChI=1S/C20H14O4S/c21-18-12-19(20(22)17-8-4-3-7-16(17)18)25(23,24)15-10-9-13-5-1-2-6-14(13)11-15/h1-12,21-22H NEXUTBMTXKQNMP-UHFFFAOYSA-N 50245923 2-(naphthalen-2-ylsulfonyl)naphthalene-1,4-diol::CHEMBL462374 3-oxoacyl-[acyl-carrier-protein] synthase 3 1.49 ChEMBL 10.1016/j.bmcl.2008.10.097 10.7270/Q2542PGV 18996691 Alhamadsheh, MM; Waters, NC; Sachdeva, S; Lee, P; Reynolds, KA Portland State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245923&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44562747 104101473 CHEMBL462374 ZINC40874372 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50876115 Cc1ccc(cc1)S(=O)(=O)c1cc(O)c2cc3ccccc3cc2c1O InChI=1S/C21H16O4S/c1-13-6-8-16(9-7-13)26(24,25)20-12-19(22)17-10-14-4-2-3-5-15(14)11-18(17)21(20)23/h2-12,22-23H,1H3 DKOISANXNBXJMG-UHFFFAOYSA-N 50245924 2-tosylanthracene-1,4-diol::CHEMBL451059 3-oxoacyl-[acyl-carrier-protein] synthase 3 8.47 ChEMBL 10.1016/j.bmcl.2008.10.097 10.7270/Q2542PGV 18996691 Alhamadsheh, MM; Waters, NC; Sachdeva, S; Lee, P; Reynolds, KA Portland State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245924&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44562748 104101474 CHEMBL451059 ZINC40835989 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50876116 Cc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1O InChI=1S/C13H12O4S/c1-9-2-5-11(6-3-9)18(16,17)13-8-10(14)4-7-12(13)15/h2-8,14-15H,1H3 JDVLOEPBUIGUKP-UHFFFAOYSA-N 50245925 2-tosylbenzene-1,4-diol::CHEMBL462375 3-oxoacyl-[acyl-carrier-protein] synthase 3 34.4 ChEMBL 10.1016/j.bmcl.2008.10.097 10.7270/Q2542PGV 18996691 Alhamadsheh, MM; Waters, NC; Sachdeva, S; Lee, P; Reynolds, KA Portland State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245925&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 621969 104101475 CHEMBL462375 ZINC00036613 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50876117 CC(=O)Nc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1O InChI=1S/C14H13NO5S/c1-9(16)15-10-2-5-12(6-3-10)21(19,20)14-8-11(17)4-7-13(14)18/h2-8,17-18H,1H3,(H,15,16) OQXREQZOGOFYJC-UHFFFAOYSA-N 50245926 CHEMBL462376::N-(4-(2,5-dihydroxyphenylsulfonyl)phenyl)acetamide::cid_257482 3-oxoacyl-[acyl-carrier-protein] synthase 3 31.4 ChEMBL 10.1016/j.bmcl.2008.10.097 10.7270/Q2542PGV 18996691 Alhamadsheh, MM; Waters, NC; Sachdeva, S; Lee, P; Reynolds, KA Portland State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245926 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245926&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 257482 104101476 CHEMBL462376 ZINC00289034 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50876118 Cc1ccc(cc1)S(=O)(=O)c1ccc2ccccc2c1 InChI=1S/C17H14O2S/c1-13-6-9-16(10-7-13)20(18,19)17-11-8-14-4-2-3-5-15(14)12-17/h2-12H,1H3 UOUHDIZYOCFQKG-UHFFFAOYSA-N 50245927 2-tosylnaphthalene::CHEMBL462553 3-oxoacyl-[acyl-carrier-protein] synthase 3 138.1 ChEMBL 10.1016/j.bmcl.2008.10.097 10.7270/Q2542PGV 18996691 Alhamadsheh, MM; Waters, NC; Sachdeva, S; Lee, P; Reynolds, KA Portland State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245927 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245927&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 518736 104101477 CHEMBL462553 ZINC32149231 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50876119 Cc1ccc(cc1)S(=O)(=O)C1=CC(=O)c2ccccc2C1=O InChI=1S/C17H12O4S/c1-11-6-8-12(9-7-11)22(20,21)16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10H,1H3 UCFUGRHGHVYUOA-UHFFFAOYSA-N 50245928 2-tosylnaphthalene-1,4-dione::CHEMBL454282 3-oxoacyl-[acyl-carrier-protein] synthase 3 1.99 ChEMBL 10.1016/j.bmcl.2008.10.097 10.7270/Q2542PGV 18996691 Alhamadsheh, MM; Waters, NC; Sachdeva, S; Lee, P; Reynolds, KA Portland State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245928 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245928&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 276683 104101478 CHEMBL454282 ZINC01714192 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50876120 Cc1ccc(SC2=CC(=O)c3ccccc3C2=O)cc1 InChI=1S/C17H12O2S/c1-11-6-8-12(9-7-11)20-16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10H,1H3 IHRGUZGBIGODSC-UHFFFAOYSA-N 50245831 2-(p-tolylthio)naphthalene-1,4-dione::CHEMBL501551 3-oxoacyl-[acyl-carrier-protein] synthase 3 112 ChEMBL 10.1016/j.bmcl.2008.10.097 10.7270/Q2542PGV 18996691 Alhamadsheh, MM; Waters, NC; Sachdeva, S; Lee, P; Reynolds, KA Portland State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245831 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245831&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 15032092 104101395 CHEMBL501551 ZINC40977319 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50876131 Cc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O InChI=1S/C17H14O4S/c1-11-6-8-12(9-7-11)22(20,21)16-10-15(18)13-4-2-3-5-14(13)17(16)19/h2-10,18-19H,1H3 CYYDOKQRZQTSOL-UHFFFAOYSA-N 50245828 2-Tosylnaphthalene-1,4-diol::CHEMBL509952 3-oxoacyl-[acyl-carrier-protein] synthase 3 0.61 ChEMBL 10.1016/j.bmcl.2008.10.097 10.7270/Q2542PGV 18996691 Alhamadsheh, MM; Waters, NC; Sachdeva, S; Lee, P; Reynolds, KA Portland State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245828&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 594215 104101392 CHEMBL509952 ZINC32197576 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50876132 CS(=O)(=O)c1cc(O)c2ccccc2c1O InChI=1S/C11H10O4S/c1-16(14,15)10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6,12-13H,1H3 LDKPKJBNGZYJSR-UHFFFAOYSA-N 50245829 2-(methylsulfonyl)naphthalene-1,4-diol::CHEMBL491752 3-oxoacyl-[acyl-carrier-protein] synthase 3 3.53 ChEMBL 10.1016/j.bmcl.2008.10.097 10.7270/Q2542PGV 18996691 Alhamadsheh, MM; Waters, NC; Sachdeva, S; Lee, P; Reynolds, KA Portland State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245829 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245829&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44562639 104101393 CHEMBL491752 ZINC40976386 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50876133 OC(=O)CCS(=O)(=O)c1cc(O)c2ccccc2c1O InChI=1S/C13H12O6S/c14-10-7-11(20(18,19)6-5-12(15)16)13(17)9-4-2-1-3-8(9)10/h1-4,7,14,17H,5-6H2,(H,15,16) AEEJSZCMSYRVSK-UHFFFAOYSA-N 50245830 3-(1,4-dihydroxynaphthalen-2-ylsulfonyl)propanoic acid::CHEMBL455414 3-oxoacyl-[acyl-carrier-protein] synthase 3 3.53 ChEMBL 10.1016/j.bmcl.2008.10.097 10.7270/Q2542PGV 18996691 Alhamadsheh, MM; Waters, NC; Sachdeva, S; Lee, P; Reynolds, KA Portland State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245830 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245830&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44562640 104101394 CHEMBL455414 ZINC40847986 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50876134 Oc1cc(c(O)c2ccccc12)S(=O)(=O)c1ccccc1 InChI=1S/C16H12O4S/c17-14-10-15(16(18)13-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10,17-18H YEDZIHZPRGSAMI-UHFFFAOYSA-N 50245877 2-(phenylsulfonyl)naphthalene-1,4-diol::CHEMBL462205 3-oxoacyl-[acyl-carrier-protein] synthase 3 2.84 ChEMBL 10.1016/j.bmcl.2008.10.097 10.7270/Q2542PGV 18996691 Alhamadsheh, MM; Waters, NC; Sachdeva, S; Lee, P; Reynolds, KA Portland State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245877 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245877&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 15657226 104101434 CHEMBL462205 ZINC34622636 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50876135 CC(=O)Nc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O InChI=1S/C18H15NO5S/c1-11(20)19-12-6-8-13(9-7-12)25(23,24)17-10-16(21)14-4-2-3-5-15(14)18(17)22/h2-10,21-22H,1H3,(H,19,20) SMPMCULEFKQGJW-UHFFFAOYSA-N 50245878 CHEMBL512926::N-(4-(1,4-dihydroxynaphthalen-2-ylsulfonyl)phenyl)acetamide 3-oxoacyl-[acyl-carrier-protein] synthase 3 3.76 ChEMBL 10.1016/j.bmcl.2008.10.097 10.7270/Q2542PGV 18996691 Alhamadsheh, MM; Waters, NC; Sachdeva, S; Lee, P; Reynolds, KA Portland State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245878 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245878&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 568392 104101435 CHEMBL512926 ZINC32250824 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50876136 Oc1cc(c(O)c2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 InChI=1S/C16H11ClO4S/c17-10-5-7-11(8-6-10)22(20,21)15-9-14(18)12-3-1-2-4-13(12)16(15)19/h1-9,18-19H SXWUEZFUYNUEML-UHFFFAOYSA-N 50245879 2-(4-chlorophenylsulfonyl)naphthalene-1,4-diol::CHEMBL460104 3-oxoacyl-[acyl-carrier-protein] synthase 3 3.61 ChEMBL 10.1016/j.bmcl.2008.10.097 10.7270/Q2542PGV 18996691 Alhamadsheh, MM; Waters, NC; Sachdeva, S; Lee, P; Reynolds, KA Portland State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245879 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245879&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 25154759 104101436 CHEMBL460104 ZINC40862438 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574 50876137 CCCc1ccc(cc1)S(=O)(=O)c1cc(O)c2ccccc2c1O InChI=1S/C19H18O4S/c1-2-5-13-8-10-14(11-9-13)24(22,23)18-12-17(20)15-6-3-4-7-16(15)19(18)21/h3-4,6-12,20-21H,2,5H2,1H3 BCECDLBGKYFWCS-UHFFFAOYSA-N 50245880 2-(4-propylphenylsulfonyl)naphthalene-1,4-diol::CHEMBL445555 3-oxoacyl-[acyl-carrier-protein] synthase 3 3.09 ChEMBL 10.1016/j.bmcl.2008.10.097 10.7270/Q2542PGV 18996691 Alhamadsheh, MM; Waters, NC; Sachdeva, S; Lee, P; Reynolds, KA Portland State University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50245880 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=9986&target=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50245880&enzyme=3-oxoacyl-%5Bacyl-carrier-protein%5D+synthase+3&column=ki&startPg=0&Increment=50&submit=Search 44562692 104101437 CHEMBL445555 ZINC40834086 1 MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG 1HZP,1M1M,2AHB,2AJ9,2QNX,2QNZ,2QO1,2QX1 Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III FABH_MYCTU P9WNG3 L0T424 O06399 P0A574