| 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 | BDBM16452 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_31330 (CHEMBL644883) |
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| IC50 | 36.4±n/a nM |
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| Citation |  Singh, SB; Malamas, MS; Hohman, TC; Nilakantan, R; Carper, DA; Kitchen, D Molecular modeling of the aldose reductase-inhibitor complex based on the X-ray crystal structure and studies with single-site-directed mutants. J Med Chem43:1062-70 (2000) [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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| BDBM16452 |
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| n/a |
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| Name | BDBM16452 |
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| Synonyms: | (4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid | 2-(4-oxo-3-{[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl}-3,4-dihydrophthalazin-1-yl)acetic acid | Alond | CHEMBL10372 | Xedia | Zopolrestat |
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| Type | Small organic molecule |
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| Emp. Form. | C19H12F3N3O3S |
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| Mol. Mass. | 419.377 |
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| SMILES | OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12 |
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| Structure | 
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