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Target
Tyrosine-protein kinase BTK [386-659]
Ligand
BDBM468114
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:
BDBM468114
Synonyms:
(R)-N-(1-Acryloylpyrrolidin-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 779 | US10822348, Example 779
Type:
Small organic molecule
Emp. Form.:
C26H28N6O4S
Mol. Mass.:
520.603
SMILES:
CC(C)COc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:23.23,(-11.69,3.81,;-10.35,4.58,;-10.35,6.12,;-9.02,3.81,;-7.69,4.58,;-6.35,3.81,;-5.02,4.58,;-3.68,3.81,;-2.35,4.58,;-3.68,2.27,;-5.02,1.5,;-6.35,2.27,;-2.35,1.5,;-2.35,-.04,;-3.68,-.81,;-3.68,-2.35,;-2.35,-3.12,;-1.02,-2.35,;.36,-2.95,;1.09,-1.45,;2.63,-1.46,;3.4,-.13,;3.39,-2.8,;4.93,-2.8,;6.02,-1.3,;7.77,-1.87,;7.77,-3.72,;6.02,-4.29,;9.02,-4.62,;8.65,-6.12,;10.35,-3.85,;11.69,-4.62,;.32,-.04,;.32,1.5,;-1.02,2.27,;-1.02,3.81,;-1.02,-.81,)|
Structure:
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