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Target
Tyrosine-protein kinase BTK [386-659]
Ligand
BDBM468001
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
10.0±n/a nM
Citation
 Arora, N; Bacani, GM; Barbay, JK; Bembenek, SD; Cai, M; Chen, W; Deckhut, CP; Edwards, JP; Ghosh, B; Hao, B; Kreutter, KD; Li, G; Tichenor, MS; Venable, JD; Wei, J; Wiener, JJ; Wu, Y; Zhu, Y; Zhang, F; Zhang, Z; Xiao, K Inhibitors of Bruton's tyrosine kinase and methods of their use US Patent  US10822348 Publication Date 11/3/2020 
Target
Name:
Tyrosine-protein kinase BTK [386-659]
Synonyms:
AGMX1 | ATK | BPK | BTK | BTK_HUMAN | Tyrosine-protein kinase BTK (386-659)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
31815.18
Organism:
Homo sapiens (Human)
Description:
aa 386-659
Residue:
274
Sequence:
STAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
  
Inhibitor
Name:
BDBM468001
Synonyms:
(R)-N-(1-Acryloylpyrrolidin-3-yl)-5-(*S)-(4-methyl-6- phenoxypyridin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 663 | US10822348, Example 663
Type:
Small organic molecule
Emp. Form.:
C28H24N6O4S
Mol. Mass.:
540.593
SMILES:
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-4.99,-.77,;-4.99,.77,;-6.32,1.54,;-6.32,3.08,;-7.66,3.85,;-8.99,3.08,;-10.32,3.85,;-11.66,3.08,;-11.66,1.54,;-10.32,.77,;-8.99,1.54,;-4.99,3.85,;-3.65,3.08,;-3.65,1.54,;-2.32,.77,;-2.32,-.77,;-3.65,-1.54,;-3.65,-3.08,;-2.32,-3.85,;-.99,-3.08,;.5,-3.48,;1.44,-1.86,;2.98,-1.86,;3.75,-3.19,;3.75,-.53,;5.29,-.53,;6.19,-1.77,;7.66,-1.3,;7.66,.24,;6.19,.72,;8.99,1.01,;8.99,2.55,;10.32,.24,;11.66,1.01,;.35,-.77,;.35,.77,;-.99,1.54,;-.99,3.08,;-.99,-1.54,)|
Structure:
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