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Target
Tyrosine-protein kinase BTK
Ligand
BDBM278941
Substrate
n/a
Meas. Tech.
Btk Enzyme Activity Assay
IC50
0.590±n/a nM
Citation
 Liu, J; Kozlowski, JA; Gao, X; Guiadeen, DG; Liu, S; Wang, D Substituted imidazo[1,5-a]pyrazines as Btk inhibitors US Patent  US10040805 Publication Date 8/7/2018 
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:
BDBM278941
Synonyms:
4-{8-amino-3- [(6R,8aS)-6-methyl-3- oxohexahydro[1,3] oxazolo[3,4-a]pyridin-6- yl]imidazo[1,5- a]pyrazin-1-yl}-3- ethoxy-5-fluoro-N-[4- (trifluoromethyl) pyridin-2-yl] benzamide | US10040805, Example 11
Type:
Small organic molecule
Emp. Form.:
C29H27F4N7O4
Mol. Mass.:
613.5628
SMILES:
CCOc1cc(cc(F)c1-c1nc(n2ccnc(N)c12)[C@]1(C)CC[C@H]2COC(=O)N2C1)C(=O)Nc1cc(ccn1)C(F)(F)F |r,wD:24.27,20.23,(1.56,-3.33,;.47,-2.24,;.87,-.75,;-.22,.34,;.18,1.82,;-.91,2.91,;-2.4,2.51,;-2.8,1.03,;-4.28,1.42,;-1.71,-.06,;-2.1,-1.55,;-1.2,-2.8,;-2.1,-4.04,;-3.57,-3.57,;-4.9,-4.34,;-6.24,-3.57,;-6.24,-2.03,;-4.9,-1.26,;-4.9,.28,;-3.57,-2.03,;-1.71,-5.53,;-3.19,-5.13,;-2.95,-6.44,;-2.79,-7.97,;-1.38,-8.59,;-.91,-10.06,;.63,-10.06,;1.11,-8.59,;2.44,-7.82,;-.14,-7.69,;-.3,-6.16,;-.51,4.4,;-1.6,5.49,;.98,4.8,;1.38,6.29,;2.86,6.68,;3.26,8.17,;2.17,9.26,;.69,8.86,;.29,7.37,;4.75,8.57,;5.84,7.48,;5.15,10.06,;6.24,8.97,)|
Structure:
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