Reaction Details Report a problem with these data
Target
3-oxoacyl-[acyl-carrier-protein] synthase 3
Ligand
BDBM233056
Substrate
n/a
Meas. Tech.
3D-QSAR
IC50
4000±n/a nM
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 Chem 25:240-9 (2010) [PubMed]  Article 
Target
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:
MTEIATTSGARSVGLLSVGAYRPERVVTNDEICQHIDSSDEWIYTRTGIKTRRFAADDESAASMATEACRRALSNAGLSAADIDGVIVTTNTHFLQTPPAAPMVAASLGAKGILGFDLSAGCAGFGYALGAAADMIRGGGAATMLVVGTEKLSPTIDMYDRGNCFIFADGAAAVVVGETPFQGIGPTVAGSDGEQADAIRQDIDWITFAQNPSGPRPFVRLEGPAVFRWAAFKMGDVGRRAMDAAGVRPDQIDVFVPHQANSRINELLVKNLQLRPDAVVANDIEHTGNTSAASIPLAMAELLTTGAAKPGDLALLIGYGAGLSYAAQVVRMPKG
  
Inhibitor
Name:
BDBM233056
Synonyms:
mtFabH inhibitor, 3
Type:
Small organic molecule
Emp. Form.:
C16H14O3S
Mol. Mass.:
286.346
SMILES:
CC(=O)c1ccc(cc1)C#CC1(C)SC(=O)C(C)=C1O |c:18|
Structure:
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