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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Glycogen synthase kinase-3 | ||
| Ligand | BDBM50067539 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1465689 (CHEMBL3405276) | ||
| Ki | 1100±n/a nM | ||
| Citation |  Boyd, MJ; Bandarage, UK; Bennett, H; Byrn, RR; Davies, I; Gu, W; Jacobs, M; Ledeboer, MW; Ledford, B; Leeman, JR; Perola, E; Wang, T; Bennani, Y; Clark, MP; Charifson, PS Isosteric replacements of the carboxylic acid of drug candidate VX-787: Effect of charge on antiviral potency and kinase activity of azaindole-based influenza PB2 inhibitors. Bioorg Med Chem Lett25:1990-4 (2015) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Glycogen synthase kinase-3 | |||
| Name: | Glycogen synthase kinase-3 | ||
| Synonyms: | Glycogen synthase kinase-3 alpha/beta | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of ChEMBL is 2193535 | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | Glycogen synthase kinase-3 alpha | ||
| Synonyms: | GSK-3 alpha | GSK3A | GSK3A_HUMAN | Glycogen synthase kinase 3 alpha (GSKalpha) | Glycogen synthase kinase-3 | Glycogen synthase kinase-3 alpha | Glycogen synthase kinase-3 alpha (GSK3 Alpha) | Glycogen synthase kinase-3 alpha (GSK3A) | Glycogen synthase kinase-3 alpha (GSK3alpha) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 50991.79 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P49840 | ||
| Residue: | 483 | ||
| Sequence: |
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| Component 2 | |||
| Name: | Glycogen synthase kinase-3 beta | ||
| Synonyms: | GSK-3 beta | GSK-3, beta | GSK3B | GSK3B_HUMAN | Glycogen synthase kinase 3 beta (GSK3B) | Glycogen synthase kinase 3-beta (GSK3B) | Glycogen synthase kinase-3 beta (GSK-3B) | Glycogen synthase kinase-3 beta (GSK3 Beta) | Glycogen synthase kinase-3 beta (GSK3B) | Glycogen synthase kinase-3B (GSK-3B) | Glycogen synthase kinase-3beta (GSK3B) | Serine/threonine-protein kinase GSK3B | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 46756.38 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P49841 | ||
| Residue: | 420 | ||
| Sequence: |
| ||
| BDBM50067539 | |||
| n/a | |||
| Name | BDBM50067539 | ||
| Synonyms: | CHEMBL3401989 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H21F2N7O | ||
| Mol. Mass. | 437.4452 | ||
| SMILES | Cc1nnc(o1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:6.6,wD:13.16,(7.33,-.85,;6.11,-.67,;5.4,.7,;3.88,.44,;3.68,-1.07,;5.04,-1.77,;2.26,-1.79,;2.12,-3.4,;.73,-4.07,;-.57,-3.2,;-.48,-1.66,;.83,-1.64,;.86,-3.35,;.93,-.96,;.98,.59,;-.32,1.41,;-.27,2.95,;-1.57,3.76,;-2.93,3.04,;-2.99,1.5,;-1.68,.68,;-1.73,-.55,;-1.52,5.3,;-2.72,6.2,;-2.2,7.65,;-.67,7.61,;.39,8.73,;1.9,8.35,;2.32,6.87,;3.52,6.58,;1.24,5.75,;-.25,6.13,)| | ||
| Structure | 
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