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Target
Tyrosine-protein kinase BTK
Ligand
BDBM485593
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
6.76±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:
BDBM485593
Synonyms:
N-((1S,3R)-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 # 430 | US11319329, Ex # 430
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,wU:25.26,28.32,(-2.87,5.02,;-4.2,4.25,;-5.54,5.02,;-6.87,4.25,;-8.21,5.02,;-9.54,4.25,;-10.87,5.02,;-12.21,4.25,;-12.21,2.71,;-10.87,1.94,;-9.54,2.71,;-6.87,2.71,;-5.54,1.94,;-4.2,2.71,;-2.87,1.94,;-2.87,.4,;-4.2,-.37,;-4.2,-1.91,;-2.87,-2.68,;-1.54,-1.91,;-.07,-2.38,;.83,-1.14,;2.37,-1.14,;3.14,.2,;3.14,-2.47,;4.68,-2.47,;5.59,-1.23,;7.05,-1.7,;7.05,-3.24,;5.59,-3.72,;8.14,-4.33,;9.63,-3.93,;10.03,-2.44,;10.72,-5.02,;12.21,-4.62,;-.2,.4,;-.2,1.94,;-1.54,2.71,;-1.54,4.25,;-1.54,-.37,)|
Structure:
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