Target
3-oxoacyl-[acyl-carrier-protein] synthase 3
Ligand
BDBM50180106
Substrate
n/a
Meas. Tech.
ChEMBL_330090 (CHEMBL863388)
IC50
>1000000±n/a nM
Citation
 Kim, PZhang, YMShenoy, GNguyen, QABoshoff, HIManjunatha, UHGoodwin, MBLonsdale, JPrice, ACMiller, DJDuncan, KWhite, SWRock, COBarry, CEDowd, 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:
BDBM50180106
Synonyms:
5-(2,6-dichlorobenzyl)-3,5-dimethyl-4-hydroxy-5H-thiophen-2-one | CHEMBL199977
Type:
Small organic molecule
Emp. Form.:
C13H12Cl2O2S
Mol. Mass.:
303.204
SMILES:
CC1C(=O)SC(C)(Cc2c(Cl)cccc2Cl)C1=O
Structure:
Search PDB for entries with ligand similarity: