| Reaction Details |
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 | Report a problem with these data |
| Target | Aldo-keto reductase family 1 member B1 [K65Q] |
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| Ligand | BDBM50049730 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1348462 (CHEMBL3266777) |
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| IC50 | 170±n/a nM |
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| Citation |  Maccari, R; Vitale, RM; Ottaną, R; Rocchiccioli, M; Marrazzo, A; Cardile, V; Graziano, AC; Amodeo, P; Mura, U; Del Corso, A Structure-activity relationships and molecular modelling of new 5-arylidene-4-thiazolidinone derivatives as aldose reductase inhibitors and potential anti-inflammatory agents. Eur J Med Chem81:1-14 (2014) [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 [K65Q] |
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| Name: | Aldo-keto reductase family 1 member B1 [K65Q] |
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| Synonyms: | AKR1B1 | ALDR_BOVIN | Aldose reductase |
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| Type: | Protein |
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| Mol. Mass.: | 35916.27 |
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| Organism: | Bos taurus (Cattle) |
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| Description: | P16116[K65Q] |
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| Residue: | 315 |
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| Sequence: | AHNIVLYTGAKMPILGLGTWKSPPGKVTEAVKVAIDLGYRHIDCAHVYQNENEVGLALQA
KLQEQVVKREDLFIVSKLWCTYHDKDLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKD
FFPLDEDGNVIPSEKDFVDTWTAMEELVDEGLVKAIGVSNFNHLQVEKILNKPGLKYKPA
VNQIECHPYLTQEKLIQYCNSKGIVVTAYSPLGSPDRPWAKPEDPSILEDPRIKAIADKY
NKTTAQVLIRFPIQRNLIVIPKSVTPERIAENFQVFDFELDKEDMNTLLSYNRDWRACAL
VSCASHRDYPFHEEF
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| BDBM50049730 |
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| n/a |
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| Name | BDBM50049730 |
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| 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 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H13NO3S2 |
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| Mol. Mass. | 319.399 |
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| SMILES | C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1 |
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| Structure | 
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