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Target
Aldo-keto reductase family 1 member B1 [K65Q]
Ligand
BDBM50038839
Substrate
n/a
Meas. Tech.
ChEMBL_31334 (CHEMBL645541)
IC50
23±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:
BDBM50038839
Synonyms:
2-(4-bromo-2-fluorobenzyl)-1H,2'H,5'H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetrone | 2-(4-bromo-2-fluorobenzyl)spiro[1,2,3,4-tetrahydroisoquinoline-4,3'-(tetrahydro-1'H-pyrrole)]-1,2',3,5'-tetraone | CHEMBL62685
Type:
Small organic molecule
Emp. Form.:
C19H12BrFN2O4
Mol. Mass.:
431.212
SMILES:
Fc1cc(Br)ccc1CN1C(=O)c2ccccc2C2(CC(=O)NC2=O)C1=O
Structure:
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