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Target
Tyrosine-protein kinase BTK
Ligand
BDBM291529
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
7.5±n/a
Temperature
300.15±n/a K
IC50
<100±n/a nM
Comments
extracted
Citation
 Hodous, BL; Liu-Bujalski, L; Jones, R; Bankston, D; Johnson, TL; Mochalkin, I; Nguyen, N; Qiu, H; Goutopoulos, A; Brugger, N Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity US Patent  US9580449 Publication Date 2/28/2017 
Target
Name:
Tyrosine-protein kinase BTK
Synonyms:
AGMX1 | ATK | Agammaglobulinaemia tyrosine kinase | Agammaglobulinemia tyrosine kinase | B cell progenitor kinase | B-cell progenitor kinase | BPK | BTK | BTK_HUMAN | Bruton tyrosine kinase | Tyrosine Kinase BTK | Tyrosine-protein kinase (BTK) | Tyrosine-protein kinase BTK (BTK)
Type:
Enzyme
Mol. Mass.:
76289.95
Organism:
Homo sapiens (Human)
Description:
Q06187
Residue:
659
Sequence:
MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
  
Inhibitor
Name:
BDBM291529
Synonyms:
N-(3-((6-amino-5-(4-(benzyloxy)-2,3-difluorophenyl)pyrimidin-4-yl)oxy)phenyl)acrylamide | US10413562, Compound A257 | US9580449, Example A257
Type:
Small organic molecule
Emp. Form.:
C26H20F2N4O3
Mol. Mass.:
474.4588
SMILES:
Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(OCc2ccccc2)c(F)c1F |(1.33,-3.85,;,-3.08,;-1.33,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-5.33,1.54,;-6.67,.77,;-8,1.54,;-8,3.08,;-9.34,.77,;-10.67,1.54,;-4,.77,;,-1.54,;1.33,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.33,1.54,;6.67,.77,;8,1.54,;9.34,.77,;10.67,1.54,;10.67,3.08,;9.34,3.85,;8,3.08,;2.67,1.54,;2.67,3.08,;1.33,.77,;,1.54,)|
Structure:
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