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Target
Tyrosine-protein kinase BTK [386-659]
Ligand
BDBM472459
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
6.31±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:
BDBM472459
Synonyms:
(R)-N-(1-Acryloylpiperidin-3-yl)-5-(*S)-(6-(cyclopentyloxy)-4- | US10822348, Example 768 | US10822348, Example 769
Type:
Small organic molecule
Emp. Form.:
C28H30N6O4S
Mol. Mass.:
546.641
SMILES:
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,(-1.9,5.75,;-3.23,4.98,;-4.57,5.75,;-5.9,4.98,;-7.23,5.75,;-8.57,4.98,;-9.9,5.75,;-11.05,4.72,;-10.42,3.31,;-8.89,3.47,;-5.9,3.44,;-4.57,2.67,;-3.23,3.44,;-1.9,2.67,;-1.9,1.13,;-3.23,.36,;-3.23,-1.18,;-1.9,-1.95,;-.56,-1.18,;.9,-1.66,;1.81,-.41,;3.35,-.41,;4.12,.92,;4.12,-1.75,;5.66,-1.75,;6.43,-.41,;7.97,-.41,;8.73,-1.75,;7.97,-3.08,;6.43,-3.08,;8.73,-4.41,;7.97,-5.75,;10.28,-4.41,;11.05,-5.75,;.77,1.13,;.77,2.67,;-.56,3.44,;-.56,4.98,;-.56,.36,)|
Structure:
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