| Reaction Details |
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 | Report a problem with these data |
| Target | 3-oxoacyl-[acyl-carrier-protein] synthase 3 |
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| Ligand | BDBM233090 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | 3D-QSAR |
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| IC50 | 7000±n/a nM |
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| Citation |  Lu, X; Chen, Y; You, Q 3D-QSAR, molecular docking studies, and binding mode prediction of thiolactomycin analogs as mtFabH inhibitors. J Enzyme Inhib Med Chem25:240-9 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, 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 |
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| Synonyms: | β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH) | 3-oxoacyl-[acyl-carrier-protein] synthase III | FABH_MYCTU | fabH |
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| Type: | Enzyme |
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| Mol. Mass.: | 34865.07 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | P9WNG3 |
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| Residue: | 335 |
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| Sequence: | MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDES
AASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSA
GCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETP
FQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRR
AMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMA
ELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG
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| BDBM233090 |
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| n/a |
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| Name | BDBM233090 |
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| Synonyms: | mtFabH inhibitor, 37 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H18O4S |
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| Mol. Mass. | 354.42 |
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| SMILES | CC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(cc2)C(O)=O)SC1=O |c:1| |
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| Structure | 
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