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Target
Tyrosine-protein kinase BTK
Ligand
BDBM485553
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:
BDBM485553
Synonyms:
5-(*S)-(4-Methyl-6-phenoxypyridin-3-yl)-4-oxo-N-((1S,3R)-3- propionamidocyclopentyl)-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide | US10934310, Ex # 390 | US11319329, Ex # 390
Type:
Small organic molecule
Emp. Form.:
C29H28N6O4S
Mol. Mass.:
556.635
SMILES:
CCC(=O)N[C@@H]1CC[C@@H](C1)NC(=O)c1sc2nccc3n(-c4cnc(Oc5ccccc5)cc4C)c(=O)[nH]c1c23 |r,wD:8.10,5.4,(10.63,4.26,;10.79,2.73,;9.55,1.82,;8.14,2.45,;9.71,.29,;8.46,-.61,;8.46,-2.15,;7,-2.63,;6.09,-1.38,;7,-.14,;4.55,-1.38,;3.78,-2.72,;4.55,-4.05,;2.24,-2.72,;1.34,-3.96,;-.13,-3.49,;-1.46,-4.26,;-2.79,-3.49,;-2.79,-1.95,;-1.46,-1.18,;-1.46,.36,;-2.79,1.13,;-4.13,.36,;-5.46,1.13,;-5.46,2.67,;-6.79,3.44,;-8.13,2.67,;-9.46,3.44,;-10.79,2.67,;-10.79,1.13,;-9.46,.36,;-8.13,1.13,;-4.13,3.44,;-2.79,2.67,;-1.46,3.44,;-.13,1.13,;-.13,2.67,;1.21,.36,;1.21,-1.18,;-.13,-1.95,)|
Structure:
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