Reaction Details | |||
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Target | Aldo-keto reductase family 1 member B10 | ||
Ligand | BDBM50362839 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_798534 (CHEMBL1942331) | ||
IC50 | 130±n/a nM | ||
Citation | Soda, M; Hu, D; Endo, S; Takemura, M; Li, J; Wada, R; Ifuku, S; Zhao, HT; El-Kabbani, O; Ohta, S; Yamamura, K; Toyooka, N; Hara, A; Matsunaga, T Design, synthesis and evaluation of caffeic acid phenethyl ester-based inhibitors targeting a selectivity pocket in the active site of human aldo-keto reductase 1B10. Eur J Med Chem48:321-9 (2012) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Aldo-keto reductase family 1 member B10 | |||
Name: | Aldo-keto reductase family 1 member B10 | ||
Synonyms: | AK1BA_HUMAN | AKR1B10 | AKR1B11 | ARL-1 | ARP | Aldo-keto reductase family 1 member B10 | Aldo-keto reductase family 1 member B10 (AKR1B10) | Aldo-keto reductase family member 1B10 (AKR1B10) | Aldose reductase-like | Aldose reductase-related protein | SI reductase | Small intestine reductase | hARP | ||
Type: | Protein | ||
Mol. Mass.: | 36024.67 | ||
Organism: | Homo sapiens (Human) | ||
Description: | O60218. 1ZUA; 4JII; 4GQ0 | ||
Residue: | 316 | ||
Sequence: |
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BDBM50362839 | |||
n/a | |||
Name | BDBM50362839 | ||
Synonyms: | CHEMBL249447 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H24O12 | ||
Mol. Mass. | 516.4509 | ||
SMILES | O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)OC(=O)\C=C\c1ccc(O)c(O)c1 |r,wU:2.25,4.22,wD:1.0,7.8,4.4,(-1.06,-23.53,;-1.06,-21.99,;.29,-21.22,;.29,-19.66,;-1.06,-18.89,;.22,-18.03,;-2.39,-19.66,;-2.39,-21.22,;-3.73,-21.99,;-3.73,-23.53,;-2.39,-24.3,;-5.06,-24.3,;-5.06,-25.84,;-6.39,-26.61,;-7.73,-25.84,;-9.06,-26.61,;-9.06,-28.15,;-10.39,-28.92,;-7.72,-28.92,;-7.71,-30.46,;-6.39,-28.15,;-1.91,-17.6,;-.95,-16.4,;-3.45,-17.53,;1.62,-21.99,;1.61,-23.53,;.28,-24.3,;2.95,-24.3,;2.94,-25.84,;4.27,-26.62,;4.26,-28.16,;5.59,-28.93,;6.93,-28.16,;8.26,-28.93,;6.93,-26.61,;8.26,-25.84,;5.6,-25.85,)| | ||
Structure |