BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI
LigandBDBM50481815
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2271375
IC50 500±n/a nM
Citation Rana, PGhouse, SMAkunuri, RMadhavi, YVChopra, SNanduri, S FabI (enoyl acyl carrier protein reductase) - A potential broad spectrum therapeutic target and its inhibitors. Eur J Med Chem208:0 (2020) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI
Name:Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI
Synonyms:Enoyl-ACP Reductase (FabI) | Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | FABI_STAAR | NADPH-dependent enoyl-ACP reductase | fabI | trans-2-enoyl-[acyl carrier protein] reductase
Type:Enzyme
Mol. Mass.:27989.00
Organism:Staphylococcus aureus
Description:Q6GI75
Residue:256
Sequence:
MLNLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKLLEQLNQPEA
HLYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMEDLRGRFSETSREGFLLAQDI
SSYSLTIVAHEAKKLMPEGGSIVATTYLGGEFAVQNYNVMGVAKASLEANVKYLALDLGP
DNIRVNAISAGPIRTLSAKGVGGFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSG
VTGENIHVDSGFHAIK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50481815
n/a
NameBDBM50481815
Synonyms:CHEMBL5268393
TypeSmall organic molecule
Emp. Form.C61H45Cl6N7O15
Mol. Mass.1328.766
SMILESCN1[C@@H](Cc2ccc(Oc3cc4cc(c3O)-c3ccc5cc(C[C@@H](NC(=O)C(=O)c6cc(Cl)c(O)c(Cl)c6)C(=O)N[C@H](c6cc(Cl)c(O)c(Cl)c6)C(=O)N[C@H]4C(=O)N[C@H](c4cc(Cl)c(O)c(Cl)c4)C1=O)[nH]c5c3)cc2)C(=O)N[C@@H](C(O)=O)c1ccc(O)cc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: