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Targetβ-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)
LigandBDBM233067
Substrate/Competitorn/a
Meas. Tech.3D-QSAR
IC50 25000±n/a nM
Citation Lu, XChen, YYou, 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
More Info.:Get all data from this article,  Assay Method
 
β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)
Name:β-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)
Synonyms:3-oxoacyl-[acyl-carrier-protein] synthase III
Type:Enzyme
Mol. Mass.:34865.07
Organism:Mycobacterium tuberculosis
Description:P9WNG3
Residue:335
Sequence:
MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDES
AASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSA
GCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETP
FQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRR
AMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMA
ELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG
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  Blast E-value cutoff:
BDBM233067
n/a
NameBDBM233067
Synonyms:mtFabH inhibitor, 21
TypeSmall organic molecule
Emp. Form.C23H26O2S
Mol. Mass.366.516
SMILESCC1=C(O)C(C)(Cc2ccc(cc2)-c2ccc(cc2)C(C)(C)C)SC1=O |c:1|
Structure
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