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Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50010451
Substrate
n/a
Meas. Tech.
ChEBML_218061
Ki
1300±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:
BDBM50010451
Synonyms:
But-2-enoic acid 1'-but-2-enoyloxy-8,8'-dicyano-6,7,6',7'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-1-yl ester | CHEMBL324976
Type:
Small organic molecule
Emp. Form.:
C38H36N2O8
Mol. Mass.:
648.701
SMILES:
C\C=C\C(=O)Oc1c(c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC(=O)\C=C\C |(9.21,2.87,;9.21,1.32,;7.88,.55,;7.88,-.99,;9.21,-1.76,;6.55,-1.76,;6.55,-3.3,;7.88,-4.08,;7.88,-5.63,;7.88,-6.74,;6.55,-6.38,;5.25,-5.63,;3.91,-6.38,;3.91,-7.93,;5.25,-8.71,;2.58,-8.71,;2.58,-5.63,;1.25,-6.41,;2.58,-4.08,;1.25,-3.3,;3.91,-3.3,;3.91,-1.76,;3.9,-.22,;5.25,-4.08,;10.55,-4.08,;10.55,-5.63,;10.57,-6.74,;11.88,-6.38,;13.19,-5.63,;14.52,-6.38,;14.52,-7.93,;15.86,-8.71,;13.19,-8.71,;15.86,-5.63,;17.19,-6.41,;15.86,-4.08,;17.19,-3.3,;14.52,-3.3,;14.5,-1.76,;14.5,-.22,;13.19,-4.08,;11.88,-3.3,;11.88,-1.76,;13.21,-.99,;11.86,-.21,;13.21,.55,;14.54,1.32,;14.54,2.87,)|
Structure:
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