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Target
Aldo-keto reductase family 1 member B1 [K65Q]
Ligand
BDBM50038846
Substrate
n/a
Meas. Tech.
ChEMBL_31334 (CHEMBL645541)
IC50
26±n/a nM
Citation
 Malamas, MS; Hohman, TC; Millen, J Novel spirosuccinimide aldose reductase inhibitors derived from isoquinoline-1,3-diones: 2-[(4-bromo-2-fluorophenyl)methyl]-6- fluorospiro[isoquinoline-4(1H),3'-pyrrolidine]-1,2',3,5'(2H)-tetrone and congeners. 1. J Med Chem 37:2043-58 (1994) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B1 [K65Q]
Synonyms:
AKR1B1 | ALDR_BOVIN | Aldose reductase
Type:
Protein
Mol. Mass.:
35916.27
Organism:
Bos taurus (Cattle)
Description:
P16116[K65Q]
Residue:
315
Sequence:
AHNIVLYTGAKMPILGLGTWKSPPGKVTEAVKVAIDLGYRHIDCAHVYQNENEVGLALQAKLQEQVVKREDLFIVSKLWCTYHDKDLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKDFFPLDEDGNVIPSEKDFVDTWTAMEELVDEGLVKAIGVSNFNHLQVEKILNKPGLKYKPAVNQIECHPYLTQEKLIQYCNSKGIVVTAYSPLGSPDRPWAKPEDPSILEDPRIKAIADKYNKTTAQVLIRFPIQRNLIVIPKSVTPERIAENFQVFDFELDKEDMNTLLSYNRDWRACALVSCASHRDYPFHEEF
  
Inhibitor
Name:
BDBM50038846
Synonyms:
6-fluoro-2-(5-trifluoromethylbenzo[d][1,3]thiazol-2-ylmethyl)spiro[1,2,3,4-tetrahydroisoquinoline-4,3'-(tetrahydro-1'H-pyrrole)]-1,2',3,5'-tetraone | 6-fluoro-2-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-1H,2'H,5'H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetrone | CHEMBL10552
Type:
Small organic molecule
Emp. Form.:
C21H11F4N3O4S
Mol. Mass.:
477.388
SMILES:
Fc1ccc2C(=O)N(Cc3nc4cc(ccc4s3)C(F)(F)F)C(=O)C3(CC(=O)NC3=O)c2c1
Structure:
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