Reaction Details Report a problem with these data
Target
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI [9-251]
Ligand
BDBM50452514
Substrate
n/a
Meas. Tech.
ChEMBL_1747678 (CHEMBL4182188)
Ki
>37100±n/a nM
Citation
 Kwon, J; Mistry, T; Ren, J; Johnson, ME; Mehboob, S A novel series of enoyl reductase inhibitors targeting the ESKAPE pathogens, Staphylococcus aureus and Acinetobacter baumannii. Bioorg Med Chem 26:65-76 (2018) [PubMed]  Article 
Target
Name:
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI [9-251]
Synonyms:
Enoyl-ACP reductase | FABI_STAAR | fabI
Type:
PROTEIN
Mol. Mass.:
26446.66
Organism:
Staphylococcus aureus
Description:
ChEMBL_1455655
Residue:
243
Sequence:
YVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKLLEQLNQPEAHLYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMEDLRGRFSETSREGFLLAQDISSYSLTIVAHEAKKLMPEGGSIVATTYLGGEFAVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAISAGPIRTLSAKGVGGFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHVDSG
  
Inhibitor
Name:
BDBM50452514
Synonyms:
CHEMBL4217867
Type:
Small organic molecule
Emp. Form.:
C21H24N2O3
Mol. Mass.:
352.4269
SMILES:
COc1ccc(cc1)C1CCN(C1)C(=O)Cc1ccc(NC(C)=O)cc1
Structure:
Search PDB for entries with ligand similarity: