Reaction Details | |||
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Target | Glycogen synthase kinase-3 | ||
Ligand | BDBM50067533 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1465689 (CHEMBL3405276) | ||
Ki | 78±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: |
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BDBM50067533 | |||
n/a | |||
Name | BDBM50067533 | ||
Synonyms: | CHEMBL3401984 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H23F2N5O2 | ||
Mol. Mass. | 415.4364 | ||
SMILES | [H][C@]1(C(O)CO)C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12 |r,wD:12.14,1.0,TLB:2:1:8.7:10.11,THB:13:12:8.7:10.11,(-.64,1.55,;.13,.87,;1.58,1.51,;2.6,.82,;1.69,3.04,;2.79,3.59,;1.39,,;2.86,.48,;2.23,-.94,;,-.67,;-.29,-2.25,;1.15,-1.65,;-1.3,.28,;-2.82,.5,;-3.77,-.71,;-3.2,-2.14,;-4.15,-3.35,;-5.68,-3.13,;-6.25,-1.7,;-5.3,-.49,;-5.76,.65,;-3.58,-4.78,;-4.4,-6.04,;-3.43,-7.23,;-2,-6.66,;-.62,-7.36,;.67,-6.49,;.57,-4.96,;1.59,-4.28,;-.83,-4.26,;-2.1,-5.13,)| | ||
Structure |