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Target
Tyrosine-protein kinase BTK
Ligand
BDBM485332
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:
BDBM485332
Synonyms:
N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(*S)-(4-methyl-2- phenoxypyrimidin-5-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide | US10934310, Ex # 166 | US11319329, Ex # 166
Type:
Small organic molecule
Emp. Form.:
C28H25N7O4S
Mol. Mass.:
555.608
SMILES:
Cc1nc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,29.32,(-3.26,2.24,;-3.26,3.78,;-4.6,4.55,;-4.6,6.09,;-5.93,6.86,;-7.26,6.09,;-8.6,6.86,;-9.93,6.09,;-9.93,4.55,;-8.6,3.78,;-7.26,4.55,;-3.26,6.86,;-1.93,6.09,;-1.93,4.55,;-.59,3.78,;-.59,2.24,;-1.93,1.47,;-1.93,-.07,;-.59,-.84,;.74,-.07,;2.23,-.46,;3,.87,;4.54,.87,;5.31,2.2,;5.31,-.46,;6.85,-.46,;7.75,.78,;9.22,.3,;9.22,-1.23,;7.75,-1.71,;7.35,-3.2,;8.44,-4.29,;9.93,-3.89,;8.04,-5.77,;9.13,-6.86,;2.07,2.24,;2.07,3.78,;.74,4.55,;.74,6.09,;.74,1.47,)|
Structure:
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