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Target
Tyrosine-protein kinase BTK [386-659]
Ligand
BDBM467719
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:
BDBM467719
Synonyms:
(R,E)-5-(2-Methyl-4-phenoxyphenyl)-N-(1-(4-(methylamino)but-2- enoyl)pyrrolidin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 377 | US10822348, Example 492
Type:
Small organic molecule
Emp. Form.:
C31H30N6O4S
Mol. Mass.:
582.673
SMILES:
CNC\C=C\C(=O)N1CC[C@H](C1)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:10.12,(12.28,1.62,;10.95,.85,;10.95,-.69,;9.62,-1.46,;9.62,-3,;8.28,-3.77,;8.28,-5.31,;6.95,-3,;6.95,-1.46,;5.49,-.98,;4.58,-2.23,;5.49,-3.47,;3.04,-2.23,;2.29,-.88,;3.09,.44,;.75,-.85,;-.15,-2.1,;-1.62,-1.62,;-2.95,-2.39,;-4.28,-1.62,;-4.28,-.08,;-2.95,.69,;-2.95,2.23,;-4.28,3,;-5.62,2.23,;-6.95,3,;-6.95,4.54,;-8.28,5.31,;-9.62,4.54,;-10.95,5.31,;-12.28,4.54,;-12.28,3,;-10.95,2.23,;-9.62,3,;-5.62,5.31,;-4.28,4.54,;-2.95,5.31,;-1.62,3,;-1.62,4.54,;-.28,2.23,;-.28,.69,;-1.62,-.08,)|
Structure:
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