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Target
Tyrosine-protein kinase BTK
Ligand
BDBM485589
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
6.31±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:
BDBM485589
Synonyms:
N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(*S)-(6-isopropoxy-4- methylpyridin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide | US10934310, Ex # 426 | US11319329, Ex # 426
Type:
Small organic molecule
Emp. Form.:
C26H28N6O4S
Mol. Mass.:
520.603
SMILES:
CC(C)Oc1cc(C)c(cn1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:22.22,26.28,(-8.53,4.09,;-8.53,5.63,;-9.86,6.4,;-7.2,6.4,;-5.86,5.63,;-4.53,6.4,;-3.2,5.63,;-1.86,6.4,;-3.2,4.09,;-4.53,3.32,;-5.86,4.09,;-1.86,3.32,;-1.86,1.78,;-3.2,1.01,;-3.2,-.53,;-1.86,-1.3,;-.53,-.53,;.94,-1,;1.84,.24,;3.38,.24,;4.15,1.58,;4.15,-1.09,;5.69,-1.09,;6.6,.15,;8.06,-.32,;8.06,-1.86,;6.6,-2.34,;6.2,-3.83,;7.29,-4.91,;6.89,-6.4,;8.77,-4.52,;9.86,-5.6,;.81,1.78,;.81,3.32,;-.53,4.09,;-.53,5.63,;-.53,1.01,)|
Structure:
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