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Target
Tyrosine-protein kinase BTK
Ligand
BDBM394262
Substrate
n/a
Meas. Tech.
Lanthscreen Eu Kinase Binding Assay
IC50
1.30±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:
BDBM394262
Synonyms:
US9975882, Example 53
Type:
Small organic molecule
Emp. Form.:
C25H25ClFN7O2
Mol. Mass.:
509.963
SMILES:
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4cccc(F)c4Cl)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(2.6,-6.23,;1.06,-6.23,;-.48,-6.23,;-2.02,-6.23,;-2.79,-7.56,;-2.79,-4.89,;-4.33,-4.89,;-4.8,-3.43,;-3.56,-2.52,;-2.47,-1.43,;-3.56,-.34,;-4.65,-1.43,;-3.56,1.2,;-2.31,2.1,;-2.79,3.57,;-2.02,4.9,;-2.49,6.36,;-1.25,7.27,;-0,6.36,;1.49,6.76,;2.57,5.67,;2.18,4.19,;3.26,3.1,;4.75,3.5,;5.15,4.98,;6.64,5.38,;4.06,6.07,;4.46,7.56,;-.48,4.9,;-4.33,3.57,;-5.1,4.9,;-4.33,6.23,;-6.64,4.9,;-4.8,2.1,;-6.14,1.33,;-2.31,-3.43,)|
Structure:
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