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Target
Tyrosine-protein kinase BTK [386-659]
Ligand
BDBM467358
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
12.6±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:
BDBM467358
Synonyms:
(R)-N-(1-Acryloylpiperidin-3-yl)-5-(*S)-(2-methyl-4- phenoxyphenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 9 | US10822348, Example 87
Type:
Small organic molecule
Emp. Form.:
C30H27N5O4S
Mol. Mass.:
553.631
SMILES:
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,(-1.95,4.3,;-3.29,3.53,;-4.62,4.3,;-5.95,3.53,;-7.29,4.3,;-8.62,3.53,;-9.96,4.3,;-11.29,3.53,;-11.29,1.99,;-9.96,1.22,;-8.62,1.99,;-5.95,1.99,;-4.62,1.22,;-3.29,1.99,;-1.95,1.22,;-1.95,-.32,;-3.29,-1.09,;-3.29,-2.63,;-1.95,-3.4,;-.62,-2.63,;.71,-3.4,;2.05,-1.63,;3.59,-1.63,;4.36,-.3,;4.36,-2.96,;5.9,-2.96,;6.67,-4.3,;8.21,-4.3,;8.98,-2.96,;8.21,-1.63,;6.67,-1.63,;8.98,-.3,;8.21,1.04,;10.52,-.3,;11.29,-1.63,;.71,-.32,;.71,1.22,;-.62,1.99,;-.62,3.53,;-.62,-1.09,)|
Structure:
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