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Target
Tyrosine-protein kinase BTK [386-659]
Ligand
BDBM468083
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:
BDBM468083
Synonyms:
(R)-N-(1-Acryloylpiperidin-3-yl)-5-(*S)-(4-methyl-2- phenoxypyrimidin-5-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 746 | US10822348, Example 746
Type:
Small organic molecule
Emp. Form.:
C28H25N7O4S
Mol. Mass.:
555.608
SMILES:
Cc1nc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-4.47,.9,;-4.47,2.48,;-5.81,3.25,;-5.81,4.8,;-7.14,5.57,;-8.47,4.8,;-9.81,5.57,;-11.14,4.8,;-11.14,3.25,;-9.81,2.48,;-8.47,3.25,;-4.47,5.57,;-3.14,4.8,;-3.14,3.25,;-1.8,2.48,;-1.8,.94,;-3.14,.17,;-3.14,-1.37,;-1.8,-2.14,;-.47,-1.37,;.99,-1.84,;1.9,-.23,;3.44,-.23,;4.21,1.1,;4.21,-1.56,;5.75,-1.56,;6.52,-.23,;8.06,-.23,;8.83,-1.56,;8.06,-2.9,;6.52,-2.9,;8.83,-4.23,;8.06,-5.57,;10.37,-4.23,;11.14,-2.9,;.86,.94,;.86,2.48,;-.47,3.25,;-.47,4.8,;-.47,.17,)|
Structure:
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