Reaction Details | |||
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Target | Tyrosine-protein kinase BTK | ||
Ligand | BDBM467457 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2110232 (CHEMBL4818907) | ||
Ki | 141±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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BDBM467457 | |||
n/a | |||
Name | BDBM467457 | ||
Synonyms: | N-(1-Acryloylazetidin-3-yl)-5-(2-methyl-4-phenoxyphenyl)-4-oxo- 4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide; | US10800792, Example 109 | US10822348, Example 109 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H23N5O4S | ||
Mol. Mass. | 525.578 | ||
SMILES | Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)NC4CN(C4)C(=O)C=C)c([nH]c1=O)c23 |(-1.18,3.85,;-2.51,3.08,;-3.85,3.85,;-5.18,3.08,;-6.52,3.85,;-7.85,3.08,;-9.18,3.85,;-10.52,3.08,;-10.52,1.54,;-9.18,.77,;-7.85,1.54,;-5.18,1.54,;-3.85,.77,;-2.51,1.54,;-1.18,.77,;-1.18,-.77,;-2.51,-1.54,;-2.51,-3.08,;-1.18,-3.85,;.15,-3.08,;1.62,-3.56,;2.18,-2.24,;3.72,-2.24,;4.49,-3.57,;4.49,-.9,;6.03,-.9,;7.12,-1.99,;8.21,-.9,;7.12,.18,;9.75,-.9,;10.52,.43,;10.52,-2.24,;9.75,-3.57,;1.49,-.77,;1.49,.77,;.15,1.54,;.15,3.08,;.15,-1.54,)| | ||
Structure |