Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50010283
Substrate
n/a
Meas. Tech.
ChEMBL_31330 (CHEMBL644883)
IC50
54.70±n/a nM
Citation
 Singh, SBMalamas, MSHohman, TCNilakantan, RCarper, DAKitchen, D Molecular modeling of the aldose reductase-inhibitor complex based on the X-ray crystal structure and studies with single-site-directed mutants. J Med Chem 43:1062-70 (2000) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B1
Synonyms:
AKR1B1 | ALDR1 | ALDR_HUMAN | ALR2 | AR | Aldo-keto reductase family 1 member B1 (AKR1B1) | Aldose Reductase (ALR2) | Aldose reductase | Aldose reductase (AR)
Type:
Protein
Mol. Mass.:
35855.50
Organism:
Homo sapiens (Human)
Description:
P15121. 4LAU; 2IKI; 4LB4; 2FZD; 2FZ8; 1US0
Residue:
316
Sequence:
MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCALLSCTSHKDYPFHEEF
  
Inhibitor
Name:
BDBM50010283
Synonyms:
2,7-difluorospiro[9H-fluorene-9,4'-(tetrahydro-1'H-imidazole)]-2',5'-dione | 2,7-difluorospiro[9H-fluorene-9,4'-(tetrahydro-1'H-imidazole)]-2',5'-dione(imirestat) | CHEMBL269455 | Imirestat
Type:
Small organic molecule
Emp. Form.:
C15H8F2N2O2
Mol. Mass.:
286.233
SMILES:
Fc1ccc2-c3ccc(F)cc3C3(NC(=O)NC3=O)c2c1
Structure:
Search PDB for entries with ligand similarity: