Ki Summary

Reaction Details

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Target

Aldo-keto reductase family 1 member B1

Ligand

BDBM50229024

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_31794 (CHEMBL643119)

7800±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

BDBM50229024

n/a

Name

BDBM50229024

Synonyms:

CHEMBL3349372

Type

Small organic molecule

Emp. Form.

C30H32N2O8

Mol. Mass.

548.5837

SMILES

CC(C)c1c(O)c(O)c(\C=N\O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(\C=N\O)c2c1O |(-.81,7.22,;.52,6.45,;1.86,7.22,;.52,4.91,;1.86,4.14,;3.19,4.91,;1.86,2.6,;3.19,1.83,;.52,1.83,;.52,.29,;1.86,-.48,;1.86,-2.02,;-.81,2.6,;-2.14,1.83,;-2.14,.29,;-3.48,2.6,;-3.48,4.14,;-4.81,4.91,;-2.14,4.91,;-.81,4.14,;-4.81,1.83,;-4.81,.29,;-3.48,-.48,;-6.14,-.48,;-7.48,.29,;-8.81,-.48,;-8.81,-2.02,;-7.48,-2.79,;-10.14,-2.79,;-10.14,.29,;-11.48,-.48,;-10.14,1.83,;-11.48,2.6,;-8.81,2.6,;-8.81,4.14,;-7.48,4.91,;-7.48,6.45,;-7.48,1.83,;-6.14,2.6,;-6.14,4.14,)|

Structure