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Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50151407
Substrate
n/a
Meas. Tech.
ChEMBL_306565 (CHEMBL829140)
IC50
11000±n/a nM
Citation
 El-Kabbani, O; Darmanin, C; Oka, M; Schulze-Briese, C; Tomizaki, T; Hazemann, I; Mitschler, A; Podjarny, A High-resolution structures of human aldose reductase holoenzyme in complex with stereoisomers of the potent inhibitor Fidarestat: stereospecific interaction between the enzyme and a cyclic imide type inhibitor. J Med Chem 47:4530-7 (2004) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B1
Synonyms:
AR | Aldose reductase | Aldose Reductase (ALR2) | Aldo-keto reductase family 1 member B1 (AKR1B1) | ALDR_HUMAN | AKR1B1 | ALDR1 | ALR2 | Aldose reductase (AR)
Type:
Protein
Mol. Mass.:
35855.50
Organism:
Human
Description:
P15121. 4LAU; 2IKI; 4LB4; 2FZD; 2FZ8; 1US0
Residue:
316
Sequence:
MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCALLSCTSHKDYPFHEEF
  
Inhibitor
Name:
BDBM50151407
Synonyms:
6-fluoro-2'',5''-dioxo-(2S,4''R)-spiro[3,4-dihydro-2H-chromene-4,4''-(1''H,2''H-imidazole)]-2-carboxamide | (2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE | CHEMBL189464
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
c1cc2c(cc1F)[C@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3
Structure:
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