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Target
Tyrosine-protein kinase BTK [386-659]
Ligand
BDBM467357
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
7.94±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:
BDBM467357
Synonyms:
N-((3R,5R)-1-Acryloyl-5-methoxypiperidin-3-yl)-5-(2-methyl-4- phenoxyphenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 8 | US10822348, Example 8
Type:
Small organic molecule
Emp. Form.:
C28H24N6O5S
Mol. Mass.:
556.592
SMILES:
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4COC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-.86,6.18,;-2.19,5.41,;-3.52,6.18,;-4.86,5.41,;-6.19,6.18,;-7.52,5.41,;-8.86,6.18,;-10.19,5.41,;-10.19,3.87,;-8.86,3.1,;-7.52,3.87,;-4.86,3.87,;-3.52,3.1,;-2.19,3.87,;-.86,3.1,;-.86,1.56,;-2.19,.79,;-2.19,-.75,;-.86,-1.52,;.48,-.75,;1.96,-1.15,;2.9,.47,;4.44,.47,;5.21,1.81,;5.21,-.86,;6.75,-.86,;7.66,.38,;9.12,-.09,;9.12,-1.63,;7.66,-2.11,;7.18,-3.57,;8.21,-4.72,;7.73,-6.18,;9.72,-4.4,;10.19,-2.93,;1.81,1.56,;1.81,3.1,;.48,3.87,;.48,5.41,;.48,.79,)|
Structure:
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