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Target
Tyrosine-protein kinase BTK
Ligand
BDBM394217
Substrate
n/a
Meas. Tech.
Lanthscreen Eu Kinase Binding Assay
IC50
0.900±n/a nM
Citation
 Bosanac, T; Bentzien, J; Burke, MJ; Fryer, RM; Larson, ET; Mao, W; McKibben, BP; Shen, Y; Soleymanzadeh, F; Tschantz, MA Heteroaromatic compounds as BTK inhibitors US Patent  US9975882 Publication Date 5/22/2018
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:
BDBM394217
Synonyms:
US9975882, Example 8
Type:
Small organic molecule
Emp. Form.:
C26H25ClF3N7O2
Mol. Mass.:
559.971
SMILES:
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cc(ccc4Cl)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.92,;1.7,-7.32,;.21,-7.71,;-1.28,-8.11,;-1.67,-9.6,;-2.36,-7.02,;-3.9,-7.02,;-4.38,-5.56,;-3.13,-4.65,;-2.05,-3.56,;-3.13,-2.48,;-4.22,-3.56,;-3.13,-.94,;-1.89,-.03,;-2.36,1.43,;-1.59,2.77,;-.05,2.77,;.42,4.23,;-.82,5.14,;-.43,6.62,;1.06,7.02,;2.15,5.93,;3.64,6.33,;4.04,7.82,;2.95,8.91,;1.46,8.51,;.37,9.6,;4.73,5.24,;4.33,3.76,;6.21,5.64,;5.82,4.16,;-2.07,4.23,;-3.9,1.43,;-4.67,2.77,;-3.9,4.1,;-6.21,2.77,;-4.38,-.03,;-5.71,-.8,;-1.89,-5.56,)|
Structure:
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