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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Glycogen synthase kinase-3 | ||
| Ligand | BDBM50067513 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1465689 (CHEMBL3405276) | ||
| Ki | 120±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: |
| ||
| BDBM50067513 | |||
| n/a | |||
| Name | BDBM50067513 | ||
| Synonyms: | CHEMBL3401977 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H24F2N5O3P | ||
| Mol. Mass. | 463.4175 | ||
| SMILES | OP(O)(=O)CC[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wU:13.15,wD:6.5,(3.73,4.94,;3.72,3.71,;4.79,4.32,;4.78,3.08,;2.38,2.95,;1.05,3.73,;-.29,2.98,;-1.7,3.76,;-3.03,2.98,;-3.03,1.41,;-1.7,.63,;-.96,1.7,;-2.37,2.68,;-.33,1.41,;.98,.59,;.93,-.95,;-.42,-1.67,;-.48,-3.21,;.83,-4.02,;2.19,-3.3,;2.24,-1.76,;3.33,-1.18,;-1.83,-3.93,;-2.01,-5.43,;-3.53,-5.71,;-4.26,-4.36,;-5.76,-4.01,;-6.19,-2.51,;-5.12,-1.4,;-5.47,-.22,;-3.61,-1.77,;-3.19,-3.25,)| | ||
| Structure | 
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