Reaction Details |
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Target | Aldo-keto reductase family 1 member B1 |
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Ligand | BDBM16314 |
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Substrate/Competitor | BDBM16241 |
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Meas. Tech. | Enzyme Inhibition Assay |
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IC50 | 13±n/a nM |
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Citation | Van Zandt, MC; Jones, ML; Gunn, DE; Geraci, LS; Jones, JH; Sawicki, DR; Sredy, J; Jacot, JL; Dicioccio, AT; Petrova, T; Mitschler, A; Podjarny, AD Discovery of 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-N-acetic acid (lidorestat) and congeners as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications. J Med Chem48:3141-52 (2005) [PubMed] Article |
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More Info.: | Get all data from this article, Solution Info, 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 |
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: | MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQ
EKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGK
EFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKP
AVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAK
HNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCA
LLSCTSHKDYPFHEEF
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BDBM16314 |
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BDBM16241 |
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Name | BDBM16314 |
Synonyms: | 2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-N-methylmethanethioamido}acetic acid | Alredase | CHEMBL436 | N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine | Tolrestat |
Type | Small organic molecule |
Emp. Form. | C16H14F3NO3S |
Mol. Mass. | 357.347 |
SMILES | COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O |
Structure |
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