Reaction Details Report a problem with these data
Target
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
Ligand
BDBM50481113
Substrate
n/a
Meas. Tech.
ChEMBL_597852 (CHEMBL1039115)
IC50
55±n/a nM
Citation
 Sampson, PB; Picard, C; Handerson, S; McGrath, TE; Domagala, M; Leeson, A; Romanov, V; Awrey, DE; Thambipillai, D; Bardouniotis, E; Kaplan, N; Berman, JM; Pauls, HW Spiro-naphthyridinone piperidines as inhibitors of S. aureus and E. coli enoyl-ACP reductase (FabI). Bioorg Med Chem Lett 19:5355-8 (2009) [PubMed]  Article 
Target
Name:
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
Synonyms:
Enoyl - (acyl carrier protein) reductase | Enoyl-ACP Reductase (FabI) | Enoyl-[acyl-carrier-protein] reductase | Enoyl-acyl carrier protein reductase (FabI) | FABI_ECOLI | NADH-dependent enoyl-ACP reductase | envM | fabI
Type:
Enzyme
Mol. Mass.:
27861.12
Organism:
Escherichia coli
Description:
n/a
Residue:
262
Sequence:
MGFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGSDIVLQCDVAEDASIDTMFAELGKVWPKFDGFVHSIGFAPGDQLDGDYVNAVTREGFKIAHDISSYSFVAMAKACRSMLNPGSALLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPEGVRVNAISAGPIRTLAASGIKDFRKMLAHCEAVTPIRRTVTIEDVGNSAAFLCSDLSAGISGEVVHVDGGFSIAAMNELELK
  
Inhibitor
Name:
BDBM50481113
Synonyms:
CHEMBL568359
Type:
Small organic molecule
Emp. Form.:
C28H36N4O4
Mol. Mass.:
492.6098
SMILES:
CCCOc1c(CN(C)C(=O)\C=C\c2cnc3NC(=O)C4(CCN(C)CC4)Cc3c2)cccc1OC
Structure:
Search PDB for entries with ligand similarity: