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Target
Tyrosine-protein kinase BTK [386-659]
Ligand
BDBM467711
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:
BDBM467711
Synonyms:
(R)-5-(2-Methyl-4-phenoxyphenyl)-4-oxo-N-(1- (vinylsulfonyl)pyrrolidin-3-yl)-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 369 | US10822348, Example 834
Type:
Small organic molecule
Emp. Form.:
C28H25N5O5S2
Mol. Mass.:
575.659
SMILES:
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)S(=O)(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,(-2.32,5.18,;-3.61,4.43,;-4.95,5.2,;-6.28,4.43,;-7.62,5.2,;-8.95,4.43,;-10.28,5.2,;-11.62,4.43,;-11.62,2.89,;-10.28,2.12,;-8.95,2.89,;-6.28,2.89,;-4.95,2.12,;-3.62,2.89,;-2.28,2.12,;-2.28,.58,;-3.62,-.19,;-3.62,-1.73,;-2.28,-2.5,;-.95,-1.73,;.52,-2.2,;1.42,-.96,;2.96,-.98,;3.75,.34,;3.71,-2.33,;5.25,-2.33,;6.15,-1.08,;7.62,-1.56,;7.62,-3.1,;6.15,-3.58,;8.95,-3.87,;9.72,-2.54,;8.18,-5.2,;10.28,-4.64,;11.62,-3.87,;.39,.58,;.39,2.12,;-.95,2.89,;-.95,4.43,;-.95,-.19,)|
Structure:
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