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Target
Tyrosine-protein kinase BTK
Ligand
BDBM485341
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:
BDBM485341
Synonyms:
N-((1R,3R)-3-Acrylamidocyclopentyl)-5-(*S)-(2-methyl-4- phenoxyphenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide | US10934310, Ex # 175 | US11319329, Ex # 184
Type:
Small organic molecule
Emp. Form.:
C30H27N5O4S
Mol. Mass.:
553.631
SMILES:
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wU:25.26,wD:28.32,(-2.96,3.85,;-4.29,3.08,;-5.63,3.85,;-6.96,3.08,;-8.3,3.85,;-9.63,3.08,;-10.96,3.85,;-12.3,3.08,;-12.3,1.54,;-10.96,.77,;-9.63,1.54,;-6.96,1.54,;-5.63,.77,;-4.29,1.54,;-2.96,.77,;-2.96,-.77,;-4.29,-1.54,;-4.29,-3.08,;-2.96,-3.85,;-1.63,-3.08,;-.16,-3.56,;.74,-2.31,;2.28,-2.31,;3.05,-3.64,;3.05,-.98,;4.59,-.98,;5.5,-2.22,;6.96,-1.75,;6.96,-.21,;5.5,.27,;8.3,.56,;9.63,-.21,;9.63,-1.75,;10.96,.56,;12.3,-.21,;-.29,-.77,;-.29,.77,;-1.63,1.54,;-1.63,3.08,;-1.63,-1.54,)|
Structure:
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