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Target
Tyrosine-protein kinase BTK
Ligand
BDBM485278
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
9.12±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:
BDBM485278
Synonyms:
5-(*S)-(2-Methyl-4-phenoxyphenyl)-N-((1R,2R)-2-(2- (methylamino)acetamido)cyclopentyl)-4-oxo-4,5-dihydro-3H-1- thia-3,5,8-triazaacenaphthylene-2-carboxamide | US10934310, Ex # 112 | US11319329, Ex # 112
Type:
Small organic molecule
Emp. Form.:
C30H30N6O4S
Mol. Mass.:
570.662
SMILES:
CNCC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1sc2nccc3n(-c4ccc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wU:6.5,wD:10.11,(11.27,-5.21,;9.79,-5.6,;8.7,-4.52,;7.21,-4.91,;6.81,-6.4,;6.12,-3.82,;6.52,-2.34,;7.98,-1.86,;7.98,-.32,;6.52,.15,;5.61,-1.09,;4.07,-1.09,;3.3,.24,;4.07,1.58,;1.76,.24,;.86,-1,;-.61,-.53,;-1.94,-1.3,;-3.27,-.53,;-3.27,1.01,;-1.94,1.78,;-1.94,3.32,;-3.27,4.09,;-4.61,3.32,;-5.94,4.09,;-5.94,5.63,;-7.27,6.4,;-8.61,5.63,;-9.94,6.4,;-11.27,5.63,;-11.27,4.09,;-9.94,3.32,;-8.61,4.09,;-4.61,6.4,;-3.27,5.63,;-1.94,6.4,;-.61,4.09,;-.61,5.63,;.73,3.32,;.73,1.78,;-.61,1.01,)|
Structure:
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