Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50289615
Substrate
n/a
Meas. Tech.
ChEBML_31798
IC50
11±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:
BDBM50289615
Synonyms:
CHEMBL45290 | [3-Iodo-5-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-phenyl]-acetic acid
Type:
Small organic molecule
Emp. Form.:
C16H9F3INO2S
Mol. Mass.:
463.213
SMILES:
OC(=O)Cc1cc(I)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1
Structure:
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