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Target
Tyrosine-protein kinase BTK
Ligand
BDBM412818
Substrate
n/a
Meas. Tech.
BTKWT Binding Affinity
IC50
<10±n/a nM
Citation
 Guisot, N Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer US Patent  US10611766 Publication Date 4/7/2020 
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:
BDBM412818
Synonyms:
US10399989, Example 32 | US10611766, Example 32
Type:
Small organic molecule
Emp. Form.:
C29H32N6O4
Mol. Mass.:
528.6022
SMILES:
CCOC(=O)C1CCC(CC1)n1nc(-c2ccc(CNC(=O)c3ccccc3OC)cc2)c2c(N)ncnc12 |(-.72,-13,;-1.75,-11.86,;-1.28,-10.39,;-2.31,-9.25,;-3.81,-9.57,;-1.83,-7.78,;-.32,-7.46,;.15,-6,;-.88,-4.85,;-2.38,-5.17,;-2.86,-6.64,;-.4,-3.39,;-1.31,-2.14,;-.4,-.9,;-.88,.57,;-2.38,.89,;-2.86,2.35,;-1.83,3.5,;-2.31,4.96,;-1.28,6.11,;-1.75,7.57,;-3.26,7.89,;-.72,8.71,;-1.2,10.18,;-.17,11.32,;1.34,11,;1.82,9.54,;.79,8.39,;1.26,6.93,;.05,5.98,;-.32,3.18,;.15,1.71,;1.06,-1.37,;2.4,-.6,;2.4,.94,;3.73,-1.37,;3.73,-2.91,;2.4,-3.68,;1.06,-2.91,)|
Structure:
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