Reaction Details | |||
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Target | Tyrosine-protein kinase BTK | ||
Ligand | BDBM467435 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2110232 (CHEMBL4818907) | ||
Ki | 150±n/a nM | ||
Citation | Tichenor, MS; Wiener, JJM; Rao, NL; Pooley Deckhut, C; Barbay, JK; Kreutter, KD; Bacani, GM; Wei, J; Chang, L; Murrey, HE; Wang, W; Ahn, K; Huber, M; Rex, E; Coe, KJ; Wu, J; Seierstad, M; Bembenek, SD; Leonard, KA; Lebsack, AD; Venable, JD; Edwards, JP Discovery of a Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase with Oral Anti-Inflammatory Activity. ACS Med Chem Lett12:782-790 (2021) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Tyrosine-protein kinase BTK | |||
Name: | Tyrosine-protein kinase BTK | ||
Synonyms: | AGMX1 | ATK | Agammaglobulinaemia tyrosine kinase | Agammaglobulinemia tyrosine kinase | B cell progenitor kinase | B-cell progenitor kinase | BPK | BTK | BTK_HUMAN | Bruton tyrosine kinase | Tyrosine Kinase BTK | Tyrosine-protein kinase (BTK) | Tyrosine-protein kinase BTK (BTK) | ||
Type: | Enzyme | ||
Mol. Mass.: | 76289.95 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q06187 | ||
Residue: | 659 | ||
Sequence: |
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BDBM467435 | |||
n/a | |||
Name | BDBM467435 | ||
Synonyms: | (R)-N-(1-Acryloylpiperidin-3-yl)-5-(*R)-(2-methyl-4- phenoxyphenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 87 | ||
Type | Small organic molecule | ||
Emp. Form. | C30H27N5O4S | ||
Mol. Mass. | 553.631 | ||
SMILES | Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.68,4.44,;-3.01,3.67,;-4.34,4.44,;-5.68,3.67,;-7.01,4.44,;-8.34,3.67,;-9.68,4.44,;-11.01,3.67,;-11.01,2.13,;-9.68,1.36,;-8.34,2.13,;-5.68,2.13,;-4.34,1.36,;-3.01,2.13,;-1.68,1.36,;-1.68,-.18,;-3.01,-.95,;-3.01,-2.49,;-1.68,-3.26,;-.34,-2.49,;.99,-3.26,;1.76,-1.75,;3.3,-1.76,;4.06,-3.1,;4.08,-.44,;5.62,-.44,;6.39,.9,;7.93,.9,;8.7,-.44,;7.93,-1.77,;6.39,-1.77,;8.7,-3.1,;7.93,-4.44,;10.24,-3.1,;11.01,-1.77,;.99,-.18,;.99,1.36,;-.34,2.13,;-.34,3.67,;-.34,-.95,)| | ||
Structure |