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Targetβ-Ketoacyl-acyl carrier protein (ACP) synthase III (FabH)
LigandBDBM233054
Substrate/Competitorn/a
Meas. Tech.3D-QSAR
IC50 74900±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:3-oxoacyl-[acyl-carrier-protein] synthase III
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:
BDBM233054
NameBDBM233054
Synonyms:Thiolactomycin (TLM, 1)
TypeSmall organic molecule
Emp. Form.C11H14O2S
Mol. Mass.210.293
SMILESC\C(C=C)=C/C1(C)SC(=O)C(C)=C1O |c:11|
Structure
n/a