Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50006517
Substrate
n/a
Meas. Tech.
ChEBML_31757
IC50
1920±n/a nM
Citation
 Lipinski, CA; Aldinger, CE; Beyer, TA; Bordner, J; Burdi, DF; Bussolotti, DL; Inskeep, PB; Siegel, TW Hydantoin bioisosteres. In vivo active spiro hydroxy acetic acid aldose reductase inhibitors. J Med Chem 35:2169-77 (1992) [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:
BDBM50006517
Synonyms:
(7-Fluoro-9-hydroxy-1,2,3,3a,9,9a-hexahydro-cyclopenta[b]chromen-9-yl)-acetic acid | CHEMBL67751
Type:
Small organic molecule
Emp. Form.:
C14H15FO4
Mol. Mass.:
266.2649
SMILES:
OC(=O)C[C@]1(O)[C@H]2CCC[C@H]2Oc2ccc(F)cc12
Structure:
Search PDB for entries with ligand similarity: