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Target
Tyrosine-protein kinase BTK
Ligand
BDBM485366
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
6.61±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:
BDBM485366
Synonyms:
N-((1R,2R)-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 # 200 | US11319329, Ex # 200
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,wU:29.32,wD:25.26,(-3.75,.37,;-3.75,1.91,;-5.08,2.68,;-5.08,4.22,;-6.41,4.99,;-7.75,4.22,;-9.08,4.99,;-10.42,4.22,;-10.42,2.68,;-9.08,1.91,;-7.75,2.68,;-3.75,4.99,;-2.41,4.22,;-2.41,2.68,;-1.08,1.91,;-1.08,.37,;-2.41,-.4,;-2.41,-1.94,;-1.08,-2.71,;.25,-1.94,;1.74,-2.34,;2.51,-1,;4.05,-1,;4.82,-2.34,;4.82,.85,;6.36,.33,;7.27,1.58,;8.73,1.1,;8.73,-.44,;7.27,-.92,;6.79,-2.38,;7.82,-3.53,;7.34,-4.99,;9.33,-3.21,;10.42,-4.29,;1.59,.37,;1.59,1.91,;.25,2.68,;.25,4.22,;.25,-.4,)|
Structure:
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