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Target
Tyrosine-protein kinase BTK
Ligand
BDBM485386
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
6.92±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:
BDBM485386
Synonyms:
N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(2-methyl-4-(pyridin-2- yloxy)phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide | US10934310, Ex # 220 | US11319329, Ex # 220
Type:
Small organic molecule
Emp. Form.:
C29H26N6O4S
Mol. Mass.:
554.62
SMILES:
Cc1cc(Oc2ccccn2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:29.32,25.26,(-1.22,3.38,;-2.55,2.61,;-3.89,3.38,;-5.22,2.61,;-6.56,3.38,;-7.89,2.61,;-9.22,3.38,;-10.56,2.61,;-10.56,1.07,;-9.22,.3,;-7.89,1.07,;-5.22,1.07,;-3.89,.3,;-2.55,1.07,;-1.22,.3,;-1.22,-1.24,;-2.55,-2.01,;-2.55,-3.55,;-1.22,-4.32,;.11,-3.55,;1.6,-3.95,;2.53,-2.33,;4.07,-2.33,;4.85,-3.66,;4.85,-.99,;6.38,-.99,;7.29,-2.24,;8.75,-1.76,;8.75,-.22,;7.29,.25,;6.89,1.74,;7.98,2.83,;7.58,4.32,;9.47,2.43,;10.56,3.52,;1.45,-1.24,;1.45,.3,;.11,1.07,;.11,2.61,;.11,-2.01,)|
Structure:
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