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Target
3-oxoacyl-[acyl-carrier-protein] synthase 3
Ligand
BDBM50220627
Substrate
n/a
Meas. Tech.
ChEMBL_457362 (CHEMBL940953)
IC50
54000±n/a nM
Citation
 Bhowruth, V; Brown, AK; Senior, SJ; Snaith, JS; Besra, GS Synthesis and biological evaluation of a C5-biphenyl thiolactomycin library. Bioorg Med Chem Lett 17:5643-6 (2007) [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:
BDBM50220627
Synonyms:
5-(4'-acetyl-biphenyl-4-ylmethyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one | CHEMBL249805
Type:
Small organic molecule
Emp. Form.:
C21H20O3S
Mol. Mass.:
352.447
SMILES:
CC1C(=O)SC(C)(Cc2ccc(cc2)-c2ccc(cc2)C(C)=O)C1=O
Structure:
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