Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM16312
Substrate
n/a
Meas. Tech.
ChEMBL_305137 (CHEMBL832432)
IC50
1100±n/a nM
Citation
 Ferrari, AM; Wei, BQ; Costantino, L; Shoichet, BK Soft docking and multiple receptor conformations in virtual screening. J Med Chem 47:5076-84 (2004) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B1
Synonyms:
AKR1B1 | ALDR_PIG | ALR2 | AR | Aldose reductase
Type:
PROTEIN
Mol. Mass.:
35865.31
Organism:
Sus scrofa
Description:
ChEMBL_502637
Residue:
316
Sequence:
MASHLVLYTGAKMPILGLGTWKSPPGKVTEAVKVAIDLGYRHIDCAHVYQNENEVGLGLQEKLQGQVVKREDLFIVSKLWCTDHEKNLVKGACQTTLRDLKLDYLDLYLIHWPTGFKPGKDPFPLDGDGNVVPDESDFVETWEAMEELVDEGLVKAIGVSNFNHLQVEKILNKPGLKYKPAVNQIEVHPYLTQEKLIEYCKSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKYNKTTAQVLIRFPMQRNLIVIPKSVTPERIAENFQVFDFELSPEDMNTLLSYNRNWRVCALMSCASHKDYPFHEEY
  
Inhibitor
Name:
BDBM16312
Synonyms:
(4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-imidazolidine]-2',5'-dione | CHEMBL266497 | Sorbinil
Type:
Small organic molecule
Emp. Form.:
C11H9FN2O3
Mol. Mass.:
236.1992
SMILES:
Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
Structure:
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