Reaction Details |
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Target | 3-oxoacyl-[acyl-carrier-protein] synthase 3 |
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Ligand | BDBM23585 |
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Substrate/Competitor | BDBM3158 |
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Meas. Tech. | FabD/FabH Coupled Assay |
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pH | 7±n/a |
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Temperature | 295.15±n/a K |
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IC50 | >100000±n/a nM |
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Citation | Nie, Z; Perretta, C; Lu, J; Su, Y; Margosiak, S; Gajiwala, KS; Cortez, J; Nikulin, V; Yager, KM; Appelt, K; Chu, S Structure-based design, synthesis, and study of potent inhibitors of beta-ketoacyl-acyl carrier protein synthase III as potential antimicrobial agents. J Med Chem48:1596-609 (2005) [PubMed] Article |
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More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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3-oxoacyl-[acyl-carrier-protein] synthase 3 |
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Name: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 |
Synonyms: | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | 3-oxoacyl-[acyl-carrier-protein] synthase III | Beta-ketoacyl-ACP synthase III | FABH_HAEIN | KAS III | beta-Ketoacyl-ACP Synthase III (FabH) | fabH |
Type: | Acyltransferase; homodimer |
Mol. Mass.: | 34269.34 |
Organism: | Haemophilus influenzae |
Description: | The H. influenzae FabH was cloned, and protein was expressed in E. coli. |
Residue: | 316 |
Sequence: | MNSRILSTGSYLPSHIRTNADLEKMVDTSDEWIVTRSGIRERRIAAEDETVATMGFEAAK
NAIEAAQINPQDIELIIVATTSHSHAYPSAACQVQGLLNIDDAISFDLAAACTGFVYALS
VADQFIRAGKVKKALVIGSDLNSRKLDETDRSTVVLFGDGAGAVILEASEQEGIISTHLH
ASADKNNALVLAQPERGIEKSGYIEMQGNETFKLAVRELSNVVEETLLANNLDKKDLDWL
VPHQANLRIITATAKKLEMDMSQVVVTLDKYANNSAATVPVALDEAIRDGRIQRGQLLLL
EAFGGGWTWGSALVRF
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BDBM23585 |
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BDBM3158 |
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Name | BDBM23585 |
Synonyms: | (3-Phenoxybenzoylamino)benzoic acid deriv., 24i | 2-{[4-(4-methanesulfonylphenyl)-3-phenoxybenzene]amido}benzoic acid |
Type | Small organic molecule |
Emp. Form. | C27H21NO6S |
Mol. Mass. | 487.524 |
SMILES | CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1Oc1ccccc1)C(=O)Nc1ccccc1C(O)=O |
Structure |
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