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Target
Tyrosine-protein kinase BTK
Ligand
BDBM485463
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
6.46±n/a nM
Citation
 Arora, N; Bacani, GM; Barbay, JK; Bembenek, SD; Cai, M; Chen, W; Deckhut, CP; Edwards, JP; Ghosh, B; Kreutter, KD; Li, G; Tichenor, MS; Venable, JD; Wei, J; Wiener, JJ; Wu, Y; Xiao, K; Zhang, F; Zhu, Y Inhibitors of Bruton's tyrosine kinase and method of their use US Patent  US10934310 Publication Date 3/2/2021 
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:
BDBM485463
Synonyms:
N-((1R,2S)-2-Acrylamidocyclohexyl)-5-(*S)-(6-isopropoxy-4- methylpyridin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide | US10934310, Ex # 299
Type:
Small organic molecule
Emp. Form.:
C27H30N6O4S
Mol. Mass.:
534.63
SMILES:
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,27.29,(-9.32,6.41,;-7.98,5.64,;-7.98,4.1,;-6.65,6.41,;-5.32,5.64,;-3.98,6.41,;-2.65,5.64,;-1.32,6.41,;-2.65,4.1,;-3.98,3.33,;-5.32,4.1,;-1.32,3.33,;-1.32,1.79,;-2.65,1.02,;-2.65,-.52,;-1.32,-1.29,;.02,-.52,;1.48,-.99,;2.39,.25,;3.93,.25,;4.7,1.59,;4.7,-1.08,;6.24,-1.08,;7.01,.25,;8.55,.25,;9.32,-1.08,;8.55,-2.41,;7.01,-2.41,;6.24,-3.75,;7.01,-5.08,;6.24,-6.41,;8.55,-5.08,;9.32,-3.75,;1.35,1.79,;1.35,3.33,;.02,4.1,;.02,5.64,;.02,1.02,)|
Structure:
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