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Target
Tyrosine-protein kinase BTK [386-659]
Ligand
BDBM467354
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:
BDBM467354
Synonyms:
(R)-N-(1-Acryloylpyrrolidin-3-yl)-5-(*S)-(2-methyl-4- phenoxyphenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 5 | US10822348, Example 5
Type:
Small organic molecule
Emp. Form.:
C29H25N5O4S
Mol. Mass.:
539.605
SMILES:
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.55,3.85,;-2.89,3.08,;-4.22,3.85,;-5.55,3.08,;-6.89,3.85,;-8.22,3.08,;-8.22,1.54,;-9.55,.77,;-10.89,1.54,;-10.89,3.08,;-9.55,3.85,;-5.55,1.54,;-4.22,.77,;-2.89,1.54,;-1.55,.77,;-1.55,-.77,;-2.89,-1.54,;-2.89,-3.08,;-1.55,-3.85,;-.22,-3.08,;1.09,-3.6,;2.22,-2.02,;3.58,-2.02,;4.35,-3.36,;4.35,-.69,;5.85,-.69,;6.76,.56,;8.22,.08,;8.22,-1.46,;6.76,-1.93,;9.55,-2.23,;9.55,-3.77,;10.89,-1.46,;10.89,.08,;1.11,-.77,;1.11,.77,;-.22,1.54,;-.22,3.08,;-.22,-1.54,)|
Structure:
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