Reaction Details |
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Target | 3-oxoacyl-[acyl-carrier-protein] synthase 3 |
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Ligand | BDBM233057 |
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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 |
Synonyms: | β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH) | 3-oxoacyl-[acyl-carrier-protein] synthase III | FABH_MYCTU | fabH |
Type: | Enzyme |
Mol. Mass.: | 34865.07 |
Organism: | Mycobacterium tuberculosis |
Description: | P9WNG3 |
Residue: | 335 |
Sequence: | MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDES
AASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSA
GCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETP
FQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRR
AMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMA
ELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG
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BDBM233057 |
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n/a |
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Name | BDBM233057 |
Synonyms: | mtFabH inhibitor, 4 |
Type | Small organic molecule |
Emp. Form. | C16H14O4S |
Mol. Mass. | 302.345 |
SMILES | CC(=O)c1ccc(cc1O)C#CC1(C)SC(=O)C(C)=C1O |c:19| |
Structure |
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