Ki Summary

Reaction Details

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Target

Aldo-keto reductase family 1 member B1

Ligand

BDBM50487947

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_912706 (CHEMBL3055410)

IC50

28184±n/a nM

Citation

TBA Med Chem Res21:1665-1676 (2012) Article

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Aldo-keto reductase family 1 member B1

Name:

Aldo-keto reductase family 1 member B1

Synonyms:

ALDR_RAT | Akr1b1 | Akr1b4 | Aldose reductase | Aldr1

Type:

PROTEIN

Mol. Mass.:

35797.87

Organism:

Rattus norvegicus

Description:

ChEMBL_1512484

Residue:

316

Sequence:

MASHLELNNGTKMPTLGLGTWKSPPGQVTEAVKVAIDMGYRHIDCAQVYQNEKEVGVALQ
EKLKEQVVKRQDLFIVSKLWCTFHDQSMVKGACQKTLSDLQLDYLDLYLIHWPTGFKPGP
DYFPLDASGNVIPSDTDFVDTWTAMEQLVDEGLVKAIGVSNFNPLQIERILNKPGLKYKP
AVNQIECHPYLTQEKLIEYCHCKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKEIAAK
YNKTTAQVLIRFPIQRNLVVIPKSVTPARIAENFKVFDFELSNEDMATLLSYNRNWRVCA
LMSCAKHKDYPFHAEV

BDBM50487947

n/a

Name

BDBM50487947

Synonyms:

CHEMBL3349184

Type

Small organic molecule

Emp. Form.

C16H28O6

Mol. Mass.

316.3899

SMILES

CC(=C)C1CCC(COC2O[C@H](CO)[C@H](O)[C@@H](O)C2O)CC1 |r,wU:11.11,14.14,wD:16.16,(20,-16.5,;19.23,-15.16,;20,-13.83,;17.69,-15.16,;16.89,-16.47,;15.37,-16.44,;14.63,-15.09,;13.1,-15.06,;12.36,-13.71,;10.81,-13.71,;10.05,-12.38,;8.51,-12.38,;7.74,-11.05,;8.51,-9.71,;7.73,-13.71,;6.19,-13.71,;8.51,-15.05,;7.74,-16.38,;10.05,-15.05,;10.82,-16.38,;15.42,-13.78,;16.95,-13.82,)|

Structure