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Target
Tyrosine-protein kinase BTK [386-659]
Ligand
BDBM468101
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:
BDBM468101
Synonyms:
(R)-N-(1-Acryloylpiperidin-3-yl)-5-(*S)-(6-isobutoxy-4- methylpyridin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 766 | US10800792, Example 767 | US10822348, Example 767
Type:
Small organic molecule
Emp. Form.:
C27H30N6O4S
Mol. Mass.:
534.63
SMILES:
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:23.23,(-11.14,4.21,;-9.81,4.98,;-9.81,6.52,;-8.47,4.21,;-7.14,4.98,;-5.81,4.21,;-4.47,4.98,;-3.14,4.21,;-1.8,4.98,;-3.14,2.67,;-4.47,1.9,;-5.81,2.67,;-1.8,1.9,;-1.8,.36,;-3.14,-.41,;-3.14,-1.95,;-1.8,-2.72,;-.47,-1.95,;.99,-2.43,;1.9,-1.18,;3.44,-1.18,;4.21,.15,;4.21,-2.52,;5.75,-2.52,;6.52,-1.18,;8.06,-1.18,;8.83,-2.52,;8.06,-3.85,;6.52,-3.85,;8.83,-5.18,;8.06,-6.52,;10.37,-5.18,;11.14,-6.52,;.86,.36,;.86,1.9,;-.47,2.67,;-.47,4.21,;-.47,-.41,)|
Structure:
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