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Target
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI [9-251]
Ligand
BDBM50452496
Substrate
n/a
Meas. Tech.
ChEMBL_1747656 (CHEMBL4182166)
IC50
3600±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:
BDBM50452496
Synonyms:
CHEMBL4217852
Type:
Small organic molecule
Emp. Form.:
C21H23N3O3
Mol. Mass.:
365.4256
SMILES:
COc1ccc(cc1)C1CCN(C1)C(=O)\C=C\c1ccc(NC(C)=O)nc1
Structure:
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