Reaction Details
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Aldo-keto reductase family 1 member B1
Ligand
BDBM50317536
Substrate
n/a
Meas. Tech.
ChEMBL_1452475 (CHEMBL3362499)
IC50
>200000±n/a nM
Citation
Fatmawati, S; Ersam, T; Yu, H; Zhang, C; Jin, F; Shimizu, K 20(S)-Ginsenoside Rh2 as aldose reductase inhibitor from Panax ginseng. Bioorg Med Chem Lett 24:4407-9 (2014) [PubMed] Article More Info.:
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:
BDBM50317536
Synonyms:
20(R)-Ginsenoside Rg3 | CHEMBL1095008
Type:
Small organic molecule
Emp. Form.:
C42H72O13
Mol. Mass.:
785.0133
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]([#6])([#8])[#6@H]-1-[#6]-[#6][C@]2([#6])[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6@@H]1[C@@]3([#6])[#6]-[#6]-[#6@H](-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8]-[#6@@H]-4-[#8]-[#6@H](-[#6]-[#8])-[#6@@H](-[#8])-[#6@H](-[#8])-[#6@H]-4-[#8])C([#6])([#6])[#6@@H]3-[#6]-[#6][C@@]21[#6] |r|
Structure:
