Reaction Details |
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Target | Aldo-keto reductase family 1 member B1 |
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Ligand | BDBM50049730 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_800764 (CHEMBL1948100) |
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IC50 | 100±n/a nM |
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Citation | Minehira, D; Takeda, D; Urata, H; Kato, A; Adachi, I; Wang, X; Matsuya, Y; Sugimoto, K; Takemura, M; Endo, S; Matsunaga, T; Hara, A; Koseki, J; Narukawa, K; Hirono, S; Toyooka, N Design, synthesis, and biological evaluation of novel (1-thioxo-1,2,3,4-tetrahydro-ß-carbolin-9-yl)acetic acids as selective inhibitors for AKR1B1. Bioorg Med Chem20:356-67 (2011) [PubMed] Article |
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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 |
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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BDBM50049730 |
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n/a |
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Name | BDBM50049730 |
Synonyms: | 2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid | CHEMBL56337 | Epalrestat | {5-[(E)-2-Methyl-3-phenyl-prop-2-en-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid |
Type | Small organic molecule |
Emp. Form. | C15H13NO3S2 |
Mol. Mass. | 319.399 |
SMILES | C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 |
Structure |
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