| Reaction Details |
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 | Report a problem with these data |
| Target | Aldo-keto reductase family 1 member B10 [K125R,V301L] |
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| Ligand | BDBM16238 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | IC50-Activity Assay (AR) |
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| pH | 7±n/a |
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| IC50 | 4.4e+3±n/a nM |
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| Comments | extracted |
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| Citation |  Cousido-Siah, A; Ruiz, FX; Franflík, J; Giménez-Dejoz, J; Mitschler, A; Kamlar, M; Vesely´, J; Ajani, H; Parés, X; Farrés, J; Hobza, P; Podjarny, AD IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors ACS Chem Biol11:2693-2705 (2016) [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 B10 [K125R,V301L] |
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| Name: | Aldo-keto reductase family 1 member B10 [K125R,V301L] |
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| Synonyms: | AK1BA_HUMAN | AKR1B10 | AKR1B11 | Methylated AKR1B10 K125R/V301L (AKME2MU) |
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| Type: | Protein |
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| Mol. Mass.: | 36066.71 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Methylated form of AKR1B10 with mutations K125R and V301L; 4XLJ; 4XLK; 4XM9; 4XLM; 4XMJ; 4XZL; 4WEV |
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| Residue: | 316 |
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| Sequence: | MATFVELSTKAKMPIVGLGTWKSPLGKVKEAVKVAIDAGYRHIDCAYVYQNEHEVGEAIQ
EKIQEKAVKREDLFIVSKLWPTFFERPLVRKAFEKTLKDLKLSYLDVYLIHWPQGFKSGD
DLFPRDDKGNAIGGKATFLDAWEAMEELVDEGLVKALGVSNFSHFQIEKLLNKPGLKYKP
VTNQVECHPYLTQEKLIQYCHSKGITVTAYSPLGSPDRPWAKPEDPSLLEDPKIKEIAAK
HKKTAAQVLIRFHIQRNVIVIPKSVTPARIVENIQVFDFKLSDEEMATILSFNRNWRACN
LLQSSHLEDYPFNAEY
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| BDBM16238 |
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| n/a |
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| Name | BDBM16238 |
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| Synonyms: | 2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamoyl}-5-chlorophenoxy)acetic acid | IDD 388 | IDD388 | {2-[(4-bromo-2-fluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid |
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| Type | Small organic molecule |
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| Emp. Form. | C16H12BrClFNO4 |
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| Mol. Mass. | 416.626 |
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| SMILES | OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F |
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| Structure | 
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