Reaction Details  Report a problem with these data
Target
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI [9-251]
Ligand
BDBM50452512
Substrate
n/a
Meas. Tech.
ChEMBL_1747678 (CHEMBL4182188)
Ki
900±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:
BDBM50452512
Synonyms:
CHEMBL4205638
Type:
Small organic molecule
Emp. Form.:
C19H17F2NO3
Mol. Mass.:
345.34
SMILES:
Fc1cccc(F)c1CC(=O)N1CCC(C1)c1ccc2OCOc2c1
Structure:
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