Ki Summary

Reaction Details

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Target

Aldo-keto reductase family 1 member B1

Ligand

BDBM50010440

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_218061 (CHEMBL821473)

3100±n/a nM

Citation

Deck, LM; Vander Jagt, DL; Royer, RE Gossypol and derivatives: a new class of aldose reductase inhibitors. J Med Chem34:3301-5 (1991) [PubMed]

More Info.:

Get all data from this article, Assay Method

Aldo-keto reductase family 1 member B1

Name:

Aldo-keto reductase family 1 member B1

Synonyms:

Type:

Protein

Mol. Mass.:

35855.50

Organism:

Homo sapiens (Human)

Description:

P15121. 4LAU; 2IKI; 4LB4; 2FZD; 2FZ8; 1US0

Residue:

316

Sequence:

MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQ
EKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGK
EFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKP
AVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAK
HNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCA
LLSCTSHKDYPFHEEF

BDBM50010440

n/a

Name

BDBM50010440

Synonyms:

CHEMBL326383 | Hexanoic acid 8,8'-dicyano-1'-hexanoyloxy-6,7,6',7'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-1-yl ester

Type

Small organic molecule

Emp. Form.

C42H48N2O8

Mol. Mass.

708.8391

SMILES

CCCCCC(=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)CCCCC |(9.32,2.54,;9.32,1,;7.99,.21,;8.01,-1.33,;9.34,-2.08,;9.36,-3.62,;10.69,-4.39,;8.03,-4.41,;8.03,-5.95,;9.36,-6.72,;9.36,-8.27,;9.36,-9.38,;8.03,-9.01,;6.75,-8.27,;5.42,-9.01,;5.42,-10.57,;6.75,-11.34,;4.09,-11.34,;4.09,-8.27,;2.76,-9.05,;4.09,-6.72,;2.75,-5.95,;5.42,-5.95,;5.42,-4.41,;5.4,-2.87,;6.75,-6.72,;12.02,-6.72,;12.02,-8.27,;12.05,-9.38,;13.35,-9.01,;14.66,-8.27,;15.99,-9.01,;15.99,-10.57,;17.34,-11.34,;14.66,-11.34,;17.34,-8.27,;18.67,-9.05,;17.34,-6.72,;18.67,-5.93,;15.99,-5.95,;15.99,-4.41,;15.97,-2.87,;14.66,-6.72,;13.35,-5.95,;13.35,-4.41,;12.02,-3.62,;13.52,-3.23,;12.04,-2.08,;13.38,-1.33,;13.38,.21,;12.05,1,;12.05,2.54,)|

Structure