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Target
Tyrosine-protein kinase BTK
Ligand
BDBM485387
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
5.13±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:
BDBM485387
Synonyms:
N-((1R,2S)-2-Acrylamidocyclohexyl)-5-(*S)-(6-cyclobutoxy-4- methylpyridin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide | US10934310, Ex # 221
Type:
Small organic molecule
Emp. Form.:
C28H30N6O4S
Mol. Mass.:
546.641
SMILES:
Cc1cc(OC2CCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:28.31,23.24,(-1.07,6.19,;-2.4,5.42,;-3.73,6.19,;-5.07,5.42,;-6.4,6.19,;-7.73,5.42,;-9.22,5.82,;-9.62,4.33,;-8.13,3.93,;-5.07,3.88,;-3.73,3.11,;-2.4,3.88,;-1.07,3.11,;-1.07,1.57,;-2.4,.8,;-2.4,-.74,;-1.07,-1.51,;.27,-.74,;1.76,-1.14,;2.69,.48,;4.23,.48,;5,1.81,;5,-.85,;6.54,-.85,;7.31,.48,;8.85,.48,;9.62,-.85,;8.85,-2.19,;7.31,-2.19,;6.54,-3.52,;7.31,-4.86,;6.54,-6.19,;8.85,-4.86,;9.62,-3.52,;1.6,1.57,;1.6,3.11,;.27,3.88,;.27,5.42,;.27,.8,)|
Structure:
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