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Target
Tyrosine-protein kinase BTK [386-659]
Ligand
BDBM467820
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
6.31±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:
BDBM467820
Synonyms:
N-((3R,5R)-1-Acryloyl-5-methoxypiperidin-3-yl)-5-(*S)-(2-methyl- 4-phenoxyphenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 481 | US10822348, Example 481
Type:
Small organic molecule
Emp. Form.:
C31H29N5O5S
Mol. Mass.:
583.657
SMILES:
CO[C@@H]1C[C@H](CN(C1)C(=O)C=C)NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:2.1,wD:4.12,(8.06,3.59,;8.83,2.25,;8.06,.92,;6.52,.92,;5.75,-.41,;6.52,-1.75,;8.06,-1.75,;8.83,-.41,;8.83,-3.08,;8.06,-4.41,;10.37,-3.08,;11.14,-1.75,;4.21,-.41,;3.44,-1.75,;4.21,-3.08,;1.9,-1.75,;.99,-2.99,;-.47,-2.52,;-1.8,-3.29,;-3.14,-2.52,;-3.14,-.98,;-1.8,-.21,;-1.8,1.33,;-3.14,2.1,;-4.47,1.33,;-5.81,2.1,;-5.81,3.64,;-7.14,4.41,;-8.47,3.64,;-9.81,4.41,;-11.14,3.64,;-11.14,2.1,;-9.81,1.33,;-8.47,2.1,;-4.47,4.41,;-3.14,3.64,;-1.8,4.41,;-.47,2.1,;-.47,3.64,;.86,1.33,;.86,-.21,;-.47,-.98,)|
Structure:
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