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Target
Tyrosine-protein kinase BTK
Ligand
BDBM394221
Substrate
n/a
Meas. Tech.
Lanthscreen Eu Kinase Binding Assay
IC50
0.500±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:
BDBM394221
Synonyms:
US9975882, Example 12
Type:
Small organic molecule
Emp. Form.:
C26H26F3N7O2
Mol. Mass.:
525.5255
SMILES:
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.95,-6.97,;1.41,-6.97,;-.13,-6.97,;-1.67,-6.97,;-2.44,-8.3,;-2.44,-5.64,;-3.98,-5.64,;-4.46,-4.17,;-3.21,-3.27,;-2.12,-2.18,;-3.21,-1.09,;-4.3,-2.18,;-3.21,.45,;-1.97,1.36,;-2.44,2.82,;-1.67,4.16,;-2.15,5.62,;-.9,6.53,;.34,5.62,;1.83,6.02,;2.92,4.93,;2.52,3.44,;3.61,2.35,;5.1,2.75,;5.5,4.24,;4.41,5.33,;4.81,6.82,;3.72,7.9,;5.2,8.3,;6.29,7.21,;-.13,4.16,;-3.98,2.82,;-4.75,4.16,;-3.98,5.49,;-6.29,4.16,;-4.46,1.36,;-5.79,.59,;-1.97,-4.17,)|
Structure:
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