Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50289624
Substrate
n/a
Meas. Tech.
ChEBML_31798
IC50
8.4±n/a nM
Citation
 Aotsuka, T; Abe, N; Fukushima, K; Ashizawa, N; Yoshida, M Benzothiazol-2-ylcarboxylic acids with diverse spacers: A novel class of potent, orally active aldose reductase inhibitors Bioorg Med Chem Lett 7:1677-1682 (1997)    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:
BDBM50289624
Synonyms:
CHEMBL44780 | {Phenyl-[3-(4,5,7-trifluoro-benzothiazol-2-yl)-thiopropionyl]-amino}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C18H13F3N2O2S2
Mol. Mass.:
410.433
SMILES:
OC(=O)CN(C(=S)CCc1nc2c(F)c(F)cc(F)c2s1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: