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Target
Tyrosine-protein kinase BTK
Ligand
BDBM485531
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
7.41±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:
BDBM485531
Synonyms:
N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(2-methyl-4-((6- methylpyridin-2-yl)oxy)phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide | US10934310, Ex # 368 | US11319329, Ex # 368
Type:
Small organic molecule
Emp. Form.:
C30H28N6O4S
Mol. Mass.:
568.646
SMILES:
Cc1cccc(Oc2ccc(c(C)c2)-n2c3ccnc4sc(C(=O)N[C@@H]5CCC[C@@H]5NC(=O)C=C)c([nH]c2=O)c34)n1 |r,wU:25.25,29.31,(-11.1,3.55,;-9.77,2.78,;-9.77,1.24,;-8.44,.47,;-7.1,1.24,;-7.1,2.78,;-5.77,3.55,;-4.43,2.78,;-4.43,1.24,;-3.1,.47,;-1.77,1.24,;-1.77,2.78,;-.43,3.55,;-3.1,3.55,;-.43,.47,;-.43,-1.07,;-1.77,-1.84,;-1.77,-3.38,;-.43,-4.15,;.9,-3.38,;2.37,-3.86,;3.08,-2.49,;4.62,-2.49,;5.39,-3.83,;5.39,-1.16,;6.93,-1.16,;7.84,-2.4,;9.3,-1.93,;9.3,-.39,;7.84,.09,;7.44,1.58,;8.53,2.66,;8.13,4.15,;10.01,2.27,;11.1,3.35,;2.23,-1.07,;2.23,.47,;.9,1.24,;.9,2.78,;.9,-1.84,;-8.44,3.55,)|
Structure:
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