Reaction Details Report a problem with these data
Target
3-oxoacyl-[acyl-carrier-protein] synthase 3
Ligand
BDBM50134349
Substrate
n/a
Meas. Tech.
ChEBML_37595
IC50
119000±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:
BDBM50134349
Synonyms:
CHEMBL124117 | N-[4'-(3-Hydroxy-2,4-dimethyl-5-oxo-2,5-dihydro-thiophen-2-ylmethyl)-biphenyl-3-yl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C21H21NO3S
Mol. Mass.:
367.461
SMILES:
CC1C(=O)SC(C)(Cc2ccc(cc2)-c2cccc(NC(C)=O)c2)C1=O
Structure:
Search PDB for entries with ligand similarity: