Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1 [K65Q]
Ligand
BDBM16314
Substrate
n/a
Meas. Tech.
ChEBML_31634
IC50
35±n/a nM
Citation
 Sestanj, K; Bellini, F; Fung, S; Abraham, N; Treasurywala, A; Humber, L; Simard-Duquesne, N; Dvornik, D N-[5-(trifluoromethyl)-6-methoxy-1-naphthalenyl]thioxomethyl]- N-methylglycine (Tolrestat), a potent, orally active aldose reductase inhibitor. J Med Chem 27:255-6 (1984) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B1 [K65Q]
Synonyms:
ALDR_BOVIN | AKR1B1 | Aldose reductase
Type:
Protein
Mol. Mass.:
35916.27
Organism:
Bovine
Description:
P16116[K65Q]
Residue:
315
Sequence:
AHNIVLYTGAKMPILGLGTWKSPPGKVTEAVKVAIDLGYRHIDCAHVYQNENEVGLALQAKLQEQVVKREDLFIVSKLWCTYHDKDLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKDFFPLDEDGNVIPSEKDFVDTWTAMEELVDEGLVKAIGVSNFNHLQVEKILNKPGLKYKPAVNQIECHPYLTQEKLIQYCNSKGIVVTAYSPLGSPDRPWAKPEDPSILEDPRIKAIADKYNKTTAQVLIRFPIQRNLIVIPKSVTPERIAENFQVFDFELDKEDMNTLLSYNRDWRACALVSCASHRDYPFHEEF
  
Inhibitor
Name:
BDBM16314
Synonyms:
N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine | Alredase | 2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-N-methylmethanethioamido}acetic acid | CHEMBL436 | Tolrestat
Type:
Small organic molecule
Emp. Form.:
C16H14F3NO3S
Mol. Mass.:
357.06
SMILES:
CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC
Structure:
Search PDB for entries with ligand similarity: