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Target
Tyrosine-protein kinase BTK
Ligand
BDBM485337
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
6.46±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:
BDBM485337
Synonyms:
N-((1R,2S)-2-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 # 171 | US11319329, Ex # 171
Type:
Small organic molecule
Emp. Form.:
C29H26N6O4S
Mol. Mass.:
554.62
SMILES:
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-3.86,.45,;-3.86,1.99,;-5.2,2.76,;-5.2,4.3,;-6.53,5.07,;-7.86,4.3,;-9.2,5.07,;-10.53,4.3,;-10.53,2.76,;-9.2,1.99,;-7.86,2.76,;-3.86,5.07,;-2.53,4.3,;-2.53,2.76,;-1.19,1.99,;-1.19,.45,;-2.53,-.32,;-2.53,-1.86,;-1.19,-2.63,;.14,-1.86,;1.6,-2.34,;2.51,-1.09,;4.05,-1.09,;4.82,-2.43,;4.82,.24,;6.36,.24,;7.26,1.49,;8.73,1.01,;8.73,-.53,;7.26,-1,;6.87,-2.49,;7.95,-3.58,;7.56,-5.07,;9.44,-3.18,;10.53,-4.27,;1.47,.45,;1.47,1.99,;.14,2.76,;.14,4.3,;.14,-.32,)|
Structure:
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