Reaction Details Report a problem with these data
Target
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI
Ligand
BDBM97442
Substrate
n/a
Meas. Tech.
Thermal Shift Assay
pH
7.5±0
Ki
1.01±0.19 nM
Citation
 Chang, A; Schiebel, J; Yu, W; Bommineni, GR; Pan, P; Baxter, MV; Khanna, A; Sotriffer, CA; Kisker, C; Tonge, PJ Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the Staphylococcus aureus FabI Enzyme-Product Complex. Biochemistry 52:4217-28 (2013) [PubMed]  Article 
Target
Name:
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI
Synonyms:
Enoyl-ACP Reductase (FabI) | Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | FABI_STAAR | NADPH-dependent enoyl-ACP reductase | fabI | trans-2-enoyl-[acyl carrier protein] reductase
Type:
Enzyme
Mol. Mass.:
27989.00
Organism:
Staphylococcus aureus
Description:
Q6GI75
Residue:
256
Sequence:
MLNLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKLLEQLNQPEAHLYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMEDLRGRFSETSREGFLLAQDISSYSLTIVAHEAKKLMPEGGSIVATTYLGGEFAVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAISAGPIRTLSAKGVGGFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHVDSGFHAIK
  
Inhibitor
Name:
BDBM97442
Synonyms:
PT446
Type:
Small molecule
Emp. Form.:
C13H8FNO2
Mol. Mass.:
229.2065
SMILES:
Oc1cc(F)ccc1Oc1ccccc1C#N
Structure:
Search PDB for entries with ligand similarity: