| Reaction Details |
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 | Report a problem with these data |
| Target | Aldo-keto reductase family 1 member B1 |
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| Ligand | BDBM50006490 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_31757 (CHEMBL641351) |
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| IC50 | 49±n/a nM |
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| Citation |  Lipinski, CA; Aldinger, CE; Beyer, TA; Bordner, J; Burdi, DF; Bussolotti, DL; Inskeep, PB; Siegel, TW Hydantoin bioisosteres. In vivo active spiro hydroxy acetic acid aldose reductase inhibitors. J Med Chem35:2169-77 (1992) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Aldo-keto reductase family 1 member B1 |
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| Name: | Aldo-keto reductase family 1 member B1 |
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| Synonyms: | AKR1B1 | ALDR1 | ALDR_HUMAN | ALR2 | AR | Aldo-keto reductase family 1 member B1 (AKR1B1) | Aldose Reductase (ALR2) | Aldose reductase | Aldose reductase (AR) |
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| Type: | Protein |
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| Mol. Mass.: | 35855.50 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P15121. 4LAU; 2IKI; 4LB4; 2FZD; 2FZ8; 1US0 |
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| Residue: | 316 |
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| Sequence: | MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQ
EKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGK
EFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKP
AVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAK
HNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCA
LLSCTSHKDYPFHEEF
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| BDBM50006490 |
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| n/a |
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| Name | BDBM50006490 |
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| Synonyms: | (+)-(7-Chloro-6-fluoro-4-hydroxy-2-methyl-chroman-4-yl)-acetic acid | (-)-(7-Chloro-6-fluoro-4-hydroxy-2-methyl-chroman-4-yl)-acetic acid | (7-Chloro-6-fluoro-4-hydroxy-2-methyl-chroman-4-yl)-acetic acid | CHEMBL303218 |
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| Type | Small organic molecule |
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| Emp. Form. | C12H12ClFO4 |
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| Mol. Mass. | 274.673 |
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| SMILES | C[C@@H]1C[C@@](O)(CC(O)=O)c2cc(F)c(Cl)cc2O1 |
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| Structure | 
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