Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM485339
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
9.55±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:
BDBM485339
Synonyms:
N-((1R,2S)-2-Acrylamidocyclohexyl)-5-(*S)-(4-methyl-6- phenoxypyridin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide | US10934310, Ex # 173 | US11319329, Ex # 173
Type:
Small organic molecule
Emp. Form.:
C30H28N6O4S
Mol. Mass.:
568.646
SMILES:
Cc1cc(Oc2ccccc2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:25.26,30.33,(-3.32,1.13,;-3.32,2.67,;-4.65,3.44,;-4.65,4.98,;-5.98,5.75,;-7.32,4.98,;-8.65,5.75,;-9.98,4.98,;-9.98,3.44,;-8.65,2.67,;-7.32,3.44,;-3.32,5.75,;-1.98,4.98,;-1.98,3.44,;-.65,2.67,;-.65,1.13,;-1.98,.36,;-1.98,-1.18,;-.65,-1.95,;.68,-1.18,;2.15,-1.66,;3.05,-.41,;4.59,-.41,;5.36,-1.75,;5.36,.92,;6.9,.92,;7.67,2.25,;9.21,2.25,;9.98,.92,;9.21,-.41,;7.67,-.41,;6.9,-1.75,;7.67,-3.08,;9.21,-3.08,;6.9,-4.41,;7.67,-5.75,;2.02,1.13,;2.02,2.67,;.68,3.44,;.68,4.98,;.68,.36,)|
Structure:
Search PDB for entries with ligand similarity: