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Target
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI
Ligand
BDBM50478735
Substrate
n/a
Meas. Tech.
ChEMBL_2271375
IC50
600±n/a nM
Citation
 Rana, P; Ghouse, SM; Akunuri, R; Madhavi, YV; Chopra, S; Nanduri, S FabI (enoyl acyl carrier protein reductase) - A potential broad spectrum therapeutic target and its inhibitors. Eur J Med Chem 208:0 (2020) [PubMed]
Target
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:
MLNLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKLLEQLNQPEAHLYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMEDLRGRFSETSREGFLLAQDISSYSLTIVAHEAKKLMPEGGSIVATTYLGGEFAVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAISAGPIRTLSAKGVGGFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHVDSGFHAIK
  
Inhibitor
Name:
BDBM50478735
Synonyms:
CHEBI:65655 | COMPLESTATINS A
Type:
Small organic molecule
Emp. Form.:
C61H45Cl6N7O16
Mol. Mass.:
1344.765
SMILES:
[H][C@@]12NC(=O)[C@H](NC(=O)[C@@H](CC3C(=O)Nc4cc(ccc34)-c3cc1cc(Oc1ccc(C[C@H](N(C)C(=O)[C@H](NC2=O)c2cc(Cl)c(O)c(Cl)c2)C(=O)N[C@@H](C(O)=O)c2ccc(O)cc2)cc1)c3O)NC(=O)C(=O)c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1 |r|
Structure:
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