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Target
Tyrosine-protein kinase BTK [386-659]
Ligand
BDBM467714
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:
BDBM467714
Synonyms:
(R)-5-(2-Methyl-4-phenoxyphenyl)-4-oxo-N-(1- (vinylsulfonyl)piperidin-3-yl)-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 372 | US10822348, Example 530
Type:
Small organic molecule
Emp. Form.:
C29H27N5O5S2
Mol. Mass.:
589.685
SMILES:
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)S(=O)(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-1.8,5.75,;-3.14,4.98,;-4.47,5.75,;-5.81,4.98,;-7.14,5.75,;-8.47,4.98,;-9.81,5.75,;-11.14,4.98,;-11.14,3.44,;-9.81,2.67,;-8.47,3.44,;-5.81,3.44,;-4.47,2.67,;-3.14,3.44,;-1.8,2.67,;-1.8,1.13,;-3.14,.36,;-3.14,-1.18,;-1.8,-1.95,;-.47,-1.18,;.99,-1.66,;1.9,-.41,;3.44,-.41,;4.21,.92,;4.21,-1.75,;5.75,-1.75,;6.52,-.41,;8.06,-.41,;8.83,-1.75,;8.06,-3.08,;6.52,-3.08,;8.83,-4.41,;10.16,-3.64,;7.5,-5.18,;9.6,-5.75,;11.14,-5.75,;.86,1.13,;.86,2.67,;-.47,3.44,;-.47,4.98,;-.47,.36,)|
Structure:
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