Reaction Details Report a problem with these data
Target
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI [9-251]
Ligand
BDBM50452501
Substrate
n/a
Meas. Tech.
ChEMBL_1747678 (CHEMBL4182188)
Ki
400±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:
BDBM50452501
Synonyms:
CHEMBL4204415
Type:
Small organic molecule
Emp. Form.:
C21H21N3O4
Mol. Mass.:
379.4091
SMILES:
CC(=O)Nc1ccc(\C=C\C(=O)N2CCC(C2)c2ccc3OCOc3c2)cn1
Structure:
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