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Target
3-oxoacyl-[acyl-carrier-protein] synthase 3
Ligand
BDBM50134355
Substrate
n/a
Meas. Tech.
ChEMBL_330090 (CHEMBL863388)
IC50
>1000000±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:
3-oxoacyl-[acyl-carrier-protein] synthase | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | 3-oxoacyl-[acyl-carrier-protein] synthase III | Beta-ketoacyl-ACP synthase III (FabH)
Type:
Enzyme
Mol. Mass.:
33506.68
Organism:
Escherichia coli
Description:
C3TDZ2
Residue:
317
Sequence:
MYTKIIGTGSYLPEQVRTNADLEKMVDTSDEWIVTRTGIRERHIAAPNETVSTMGFEAATRAIEMAGIEKDQIGLIVVATTSATHAFPSAACQIQSMLGIKGCPAFDVAAACAGFTYALSVADQYVKSGAVKYALVVGSDVLARTCDPTDRGTIIIFGDGAGAAVLAASEEPGIISTHLHADGSYGELLTLPNADRVNPENSIHLTMAGNEVFKVAVTELAHIVDETLAANNLDRSQLDWLVPHQANLRIISATAKKLGMSMDNVVVTLDRHGNTSAASVPCALDEAVRDGRIKPGQLVLLEAFGGGFTWGSALVRF
  
Inhibitor
Name:
BDBM50134355
Synonyms:
5-(4-tert-Butyl-benzyl)-4-hydroxy-3,5-dimethyl-5H-thiophen-2-one | 5-(4-tert-butylbenzyl)-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one | CHEMBL333571
Type:
Small organic molecule
Emp. Form.:
C17H22O2S
Mol. Mass.:
290.42
SMILES:
CC1C(=O)SC(C)(Cc2ccc(cc2)C(C)(C)C)C1=O
Structure:
Search PDB for entries with ligand similarity: