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Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50010442
Substrate
n/a
Meas. Tech.
ChEBML_218061
Ki
56000±n/a nM
Citation
 Deck, LM; Vander Jagt, DL; Royer, RE Gossypol and derivatives: a new class of aldose reductase inhibitors. J Med Chem 34:3301-5 (1991) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B1
Synonyms:
AKR1B1 | ALDR1 | ALDR_HUMAN | ALR2 | AR | Aldo-keto reductase family 1 member B1 (AKR1B1) | Aldose Reductase (ALR2) | Aldose reductase | Aldose reductase (AR)
Type:
Protein
Mol. Mass.:
35855.50
Organism:
Homo sapiens (Human)
Description:
P15121. 4LAU; 2IKI; 4LB4; 2FZD; 2FZ8; 1US0
Residue:
316
Sequence:
MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCALLSCTSHKDYPFHEEF
  
Inhibitor
Name:
BDBM50010442
Synonyms:
5,5'-Diisopropyl-1,6,7,1',6',7'-hexamethoxy-3,3'-dimethyl-[2,2']binaphthalenyl-8,8'-dicarbaldehyde | CHEMBL109986
Type:
Small organic molecule
Emp. Form.:
C36H42O8
Mol. Mass.:
602.7139
SMILES:
COc1c(OC)c(C(C)C)c2cc(C)c(c(OC)c2c1C=O)-c1c(C)cc2c(C(C)C)c(OC)c(OC)c(C=O)c2c1OC |(1.43,-5.97,;2.77,-5.2,;4.1,-5.97,;4.1,-7.53,;2.77,-8.31,;1.41,-7.55,;5.43,-8.28,;5.43,-9.83,;4.1,-10.62,;6.77,-10.62,;6.77,-7.53,;8.07,-8.28,;9.38,-7.53,;9.38,-8.65,;9.38,-5.97,;8.07,-5.2,;8.07,-3.66,;9.41,-2.88,;6.77,-5.97,;5.43,-5.2,;5.43,-3.66,;6.77,-2.9,;12.07,-5.97,;12.07,-7.53,;12.09,-8.65,;13.38,-8.28,;14.71,-7.53,;16.02,-8.28,;16.02,-9.83,;17.38,-10.62,;14.71,-10.62,;17.38,-7.53,;18.71,-8.31,;20.05,-7.56,;17.38,-5.97,;18.71,-5.2,;20.05,-5.97,;16.02,-5.2,;16.02,-3.66,;17.38,-2.9,;14.71,-5.97,;13.38,-5.2,;13.38,-3.66,;12.05,-2.9,)|
Structure:
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