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Target
Tyrosine-protein kinase BTK [386-659]
Ligand
BDBM467452
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:
BDBM467452
Synonyms:
(R)-5-(2-Methyl-4-phenoxyphenyl)-N-(1-(3- (methylsulfonyl)propanoyl)pyrrolidin-3-yl)-4-oxo-4,5-dihydro-3H-1- thia-3,5,8-triazaacenaphthylene-2-carboxamide; | US10800792, Example 104 | US10822348, Example 104
Type:
Small organic molecule
Emp. Form.:
C30H29N5O6S2
Mol. Mass.:
619.711
SMILES:
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)CCS(C)(=O)=O)c([nH]c1=O)c23 |r,wU:25.26,(-3.46,4.33,;-4.79,3.56,;-6.12,4.33,;-7.46,3.56,;-8.79,4.33,;-10.12,3.56,;-11.46,4.33,;-12.79,3.56,;-12.79,2.02,;-11.46,1.25,;-10.12,2.02,;-7.46,2.02,;-6.12,1.25,;-4.79,2.02,;-3.46,1.25,;-3.46,-.29,;-4.79,-1.06,;-4.79,-2.6,;-3.46,-3.37,;-2.12,-2.6,;-.66,-3.07,;-.1,-1.75,;1.44,-1.75,;2.21,-.42,;2.21,-3.09,;3.75,-3.09,;4.66,-4.33,;6.12,-3.86,;6.12,-2.32,;4.66,-1.84,;7.46,-1.55,;7.46,-.01,;8.79,-2.32,;10.12,-1.55,;11.46,-2.32,;12.79,-3.09,;12.23,-.98,;10.69,-3.65,;-.79,-.29,;-.79,1.25,;-2.12,2.02,;-2.12,3.56,;-2.12,-1.06,)|
Structure:
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