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Target
Tyrosine-protein kinase BTK
Ligand
BDBM485522
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
8.91±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:
BDBM485522
Synonyms:
N-((1R,3S)-3-Acrylamidocyclopentyl)-5-(*S)-(4-methyl-6- phenoxypyridin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide | US10934310, Ex # 359 | US11319329, Ex # 359
Type:
Small organic molecule
Emp. Form.:
C29H26N6O4S
Mol. Mass.:
554.62
SMILES:
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,28.32,(-5.65,-.77,;-5.65,.77,;-6.99,1.54,;-6.99,3.08,;-8.32,3.85,;-9.65,3.08,;-10.99,3.85,;-12.32,3.08,;-12.32,1.54,;-10.99,.77,;-9.65,1.54,;-5.65,3.85,;-4.32,3.08,;-4.32,1.54,;-2.99,.77,;-2.99,-.77,;-4.32,-1.54,;-4.32,-3.08,;-2.99,-3.85,;-1.65,-3.08,;-.19,-3.56,;.77,-2.02,;2.31,-2.02,;3.08,-3.35,;3.08,-.69,;4.62,-.69,;5.52,.56,;6.99,.08,;6.99,-1.46,;5.52,-1.93,;8.32,-2.23,;9.65,-1.46,;9.65,.08,;10.99,-2.23,;12.32,-1.46,;-.32,-.77,;-.32,.77,;-1.65,1.54,;-1.65,3.08,;-1.65,-1.54,)|
Structure:
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