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Target
Tyrosine-protein kinase BTK
Ligand
BDBM143332
Substrate
n/a
Meas. Tech.
HTRF Assay
IC50
7.1±n/a nM
Citation
 Bosanac, T; Disalvo, D; Horan, JC; Liang, S; Zindell, RM Heteroaromatic compounds as BTK inhibitors US Patent  US8940893 Publication Date 1/27/2015 
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:
BDBM143332
Synonyms:
US8940893, 17
Type:
Small organic molecule
Emp. Form.:
C29H32N8O2
Mol. Mass.:
524.6168
SMILES:
CN(C)C\C=C\C(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3ccc(Oc4ccccc4)cn3)c3c(N)ncnc23)C1 |r,wU:11.11,13.15,(-11.2,-6.58,;-9.66,-6.58,;-8.89,-7.92,;-8.89,-5.25,;-7.35,-5.25,;-6.58,-3.92,;-5.04,-3.92,;-4.27,-5.25,;-4.27,-2.58,;-4.75,-1.12,;-3.5,-.21,;-2.26,-1.12,;-.92,-1.89,;-.15,-.56,;-1.49,.21,;1.34,-.16,;1.96,1.25,;3.5,1.25,;4.27,2.58,;3.5,3.92,;4.27,5.25,;5.81,5.25,;6.58,6.58,;8.12,6.58,;8.89,5.25,;10.43,5.25,;11.2,6.58,;10.43,7.92,;8.89,7.92,;6.58,3.92,;5.81,2.58,;3.81,-.42,;5.15,-1.19,;6.48,-.42,;5.15,-2.73,;3.81,-3.5,;2.48,-2.73,;2.48,-1.19,;-2.73,-2.58,)|
Structure:
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