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Target
3-oxoacyl-[acyl-carrier-protein] synthase 3
Ligand
BDBM50180142
Substrate
n/a
Meas. Tech.
ChEMBL_330091 (CHEMBL863389)
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 
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:
BDBM50180142
Synonyms:
5-(3,4-dichlorobenzyl)-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one | CHEMBL383600
Type:
Small organic molecule
Emp. Form.:
C13H12Cl2O2S
Mol. Mass.:
303.204
SMILES:
CC1C(=O)SC(C)(Cc2ccc(Cl)c(Cl)c2)C1=O
Structure:
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