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Target
Tyrosine-protein kinase BTK
Ligand
BDBM485467
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
3.98±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:
BDBM485467
Synonyms:
N-((1R,2S)-2-Acrylamidocyclohexyl)-5-(*S)-(2-methyl-6- phenoxypyridin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide | US10934310, Ex # 303 | US11319329, Ex # 303
Type:
Small organic molecule
Emp. Form.:
C30H28N6O4S
Mol. Mass.:
568.646
SMILES:
Cc1nc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,30.33,(-3.32,.46,;-3.32,2,;-4.65,2.77,;-4.65,4.31,;-5.98,5.08,;-7.32,4.31,;-8.65,5.08,;-9.98,4.31,;-9.98,2.77,;-8.65,2,;-7.32,2.77,;-3.32,5.08,;-1.98,4.31,;-1.98,2.77,;-.65,2,;-.65,.46,;-1.98,-.31,;-1.98,-1.85,;-.65,-2.62,;.68,-1.85,;2.15,-2.33,;3.05,-1.08,;4.59,-1.08,;5.36,-2.41,;5.36,.25,;6.9,.25,;7.67,1.59,;9.21,1.59,;9.98,.25,;9.21,-1.08,;7.67,-1.08,;6.9,-2.41,;7.67,-3.75,;6.9,-5.08,;9.21,-3.75,;9.98,-2.41,;2.02,.46,;2.02,2,;.68,2.77,;.68,4.31,;.68,-.31,)|
Structure:
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