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Target
3-oxoacyl-[acyl-carrier-protein] synthase 3
Ligand
BDBM50180114
Substrate
n/a
Meas. Tech.
ChEMBL_330090 (CHEMBL863388)
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:
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:
BDBM50180114
Synonyms:
3,5-dimethyl-5-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl)-4-hydroxy-5H-thiophen-2-one | CHEMBL199771
Type:
Small organic molecule
Emp. Form.:
C21H32O2S
Mol. Mass.:
348.543
SMILES:
[#6]-[#6]-1-[#6](=O)-[#16]C([#6])([#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]-1=O
Structure:
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