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Target
Tyrosine-protein kinase BTK [386-659]
Ligand
BDBM467359
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:
BDBM467359
Synonyms:
(R)-N-(1-Acryloylpiperidin-3-yl)-5-(2-fluoro-4-phenoxyphenyl)-4- oxo-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2- carboxamide; | US10800792, Example 10 | US10822348, Example 690
Type:
Small organic molecule
Emp. Form.:
C29H26N6O4S
Mol. Mass.:
554.62
SMILES:
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-4.14,.21,;-4.14,1.75,;-5.47,2.52,;-5.47,4.06,;-6.81,4.83,;-8.14,4.06,;-8.14,2.52,;-9.48,1.75,;-10.81,2.52,;-10.81,4.06,;-9.48,4.83,;-4.14,4.83,;-2.81,4.06,;-2.81,2.52,;-1.47,1.75,;-1.47,.21,;-2.81,-.56,;-2.81,-2.1,;-1.47,-2.87,;-.14,-2.1,;1.35,-2.5,;2.34,-.82,;3.88,-.82,;4.65,-2.16,;4.65,.51,;6.19,.51,;6.96,1.84,;8.5,1.84,;9.27,.51,;8.5,-.82,;6.96,-.82,;9.27,-2.16,;10.81,-2.16,;8.5,-3.49,;9.27,-4.83,;1.19,.21,;1.19,1.75,;-.14,2.52,;-.14,4.06,;-.14,-.56,)|
Structure:
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