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Target
3-oxoacyl-[acyl-carrier-protein] synthase 3
Ligand
BDBM50134359
Substrate
n/a
Meas. Tech.
ChEBML_37595
IC50
155000±n/a nM
Citation
 Senior, SJ; Illarionov, PA; Gurcha, SS; Campbell, IB; Schaeffer, ML; Minnikin, DE; Besra, GS Biphenyl-based analogues of thiolactomycin, active against Mycobacterium tuberculosis mtFabH fatty acid condensing enzyme. Bioorg Med Chem Lett 13:3685-8 (2003) [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:
BDBM50134359
Synonyms:
3,5-dimethyl-4-hydroxy-5-(4-methoxybenzyl)-5H-thiophen-2-one | 4-Hydroxy-5-(4-methoxy-benzyl)-3,5-dimethyl-5H-thiophen-2-one | CHEMBL333467
Type:
Small organic molecule
Emp. Form.:
C14H16O3S
Mol. Mass.:
264.34
SMILES:
COc1ccc(CC2(C)SC(=O)C(C)C2=O)cc1
Structure:
Search PDB for entries with ligand similarity: