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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase BTK | ||
| Ligand | BDBM467759 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2110232 (CHEMBL4818907) | ||
| Ki | 337±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: |
| ||
| BDBM467759 | |||
| n/a | |||
| Name | BDBM467759 | ||
| Synonyms: | (R)-N-(1-Acryloylpiperidin-3-yl)-5-(*S)-(4-isopropoxy-2- methylphenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 417 | US10800792, Example 418 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H29N5O4S | ||
| Mol. Mass. | 519.615 | ||
| SMILES | CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:22.22,(-10.5,3.85,;-9.17,3.08,;-9.17,1.54,;-7.83,3.85,;-6.5,3.08,;-5.16,3.85,;-3.83,3.08,;-3.83,1.54,;-5.16,.77,;-5.16,-.77,;-6.5,1.54,;-2.5,.77,;-2.5,-.77,;-3.83,-1.54,;-3.83,-3.08,;-2.5,-3.85,;-1.16,-3.08,;.36,-3.43,;1.26,-1.97,;2.8,-1.97,;3.57,-3.3,;3.57,-.63,;5.11,-.63,;5.88,-1.97,;7.42,-1.97,;8.19,-.63,;7.42,.7,;5.88,.7,;8.19,2.03,;7.42,3.37,;9.73,2.03,;10.5,3.37,;.17,-.77,;.17,.77,;-1.16,1.54,;-1.16,3.08,;-1.16,-1.54,)| | ||
| Structure | 
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