Ki Summary

Reaction Details

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Target

Aldo-keto reductase family 1 member B1

Ligand

BDBM50010445

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_218061 (CHEMBL821473)

48000±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

BDBM50010445

n/a

Name

BDBM50010445

Synonyms:

5,5'-Diisopropyl-3,4,3',4'-tetramethoxy-7,7'-dimethyl-[8,8']bi[naphtho[1,8-bc]furanyl]-2,2'-dione | CHEMBL113834

Type

Small organic molecule

Emp. Form.

C34H34O8

Mol. Mass.

570.629

SMILES

COc1c2C(=O)Oc3c(c(C)cc(c(C(C)C)c1OC)c23)-c1c2OC(=O)c3c(OC)c(OC)c(C(C)C)c(cc1C)c23 |(20.21,-11.35,;18.85,-10.58,;17.54,-11.35,;16.19,-10.58,;16.18,-9.03,;17.26,-7.93,;13.55,-9.03,;13.55,-10.58,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;16.19,-13.65,;16.19,-15.21,;17.54,-15.98,;14.86,-15.98,;17.54,-12.91,;18.85,-13.69,;20.21,-12.91,;14.86,-11.35,;9.55,-11.35,;8.21,-10.58,;8.21,-9.03,;5.59,-9.03,;4.5,-7.93,;5.59,-10.58,;4.26,-11.35,;2.92,-10.58,;1.57,-11.37,;4.26,-12.91,;2.92,-13.69,;1.57,-12.91,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;6.92,-12.91,;8.21,-13.65,;9.55,-12.91,;9.55,-14.01,;6.92,-11.35,)|

Structure