Reaction Details Report a problem with these data
Target
3-oxoacyl-[acyl-carrier-protein] synthase 3
Ligand
BDBM50173507
Substrate
n/a
Meas. Tech.
ChEMBL_330093 (CHEMBL863391)
IC50
>100000±n/a nM
Citation
Kim, P; Zhang, YM; Shenoy, G; Nguyen, QA; Boshoff, HI; Manjunatha, UH; Goodwin, MB; Lonsdale, J; Price, AC; Miller, DJ; Duncan, K; White, SW; Rock, CO; Barry, CE; Dowd, CS Structure-activity relationships at the 5-position of thiolactomycin: an intact (5R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli. J Med Chem 49:159-71 (2006) [PubMed] Article
More Info.:
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:
BDBM50173507
Synonyms:
3,5-dimethyl-4-hydroxy-5-(3-methylbut-2-enyl)-5H-thiophen-2-one | 4-Hydroxy-3,5-dimethyl-5-(3-methyl-but-2-enyl)-5H-thiophen-2-one | CHEMBL196418
Type:
Small organic molecule
Emp. Form.:
C11H16O2S
Mol. Mass.:
212.309
SMILES:
[#6]-[#6]-1-[#6](=O)-[#16]C([#6])([#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O