Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM485534
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
5.89±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:
BDBM485534
Synonyms:
N-((1R,2S)-2-Acrylamidocyclopentyl)-5-(*S)-(6-(cyclopentyloxy)- 4-methylpyridin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide | US10934310, Ex # 371 | US11319329, Ex # 371
Type:
Small organic molecule
Emp. Form.:
C28H30N6O4S
Mol. Mass.:
546.641
SMILES:
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,28.31,(-.78,6.64,;-2.12,5.87,;-3.45,6.64,;-4.78,5.87,;-6.12,6.64,;-7.45,5.87,;-8.86,6.5,;-9.89,5.35,;-9.12,4.02,;-7.61,4.34,;-4.78,4.33,;-3.45,3.56,;-2.12,4.33,;-.62,3.53,;-.62,1.99,;-1.95,1.22,;-1.94,-.32,;-.61,-1.09,;.73,-.31,;2.21,-.71,;3.14,.71,;4.79,.69,;5.72,1.91,;5.32,-1.13,;6.9,-1.15,;7.99,-.06,;9.36,-.75,;9.13,-2.27,;7.61,-2.52,;6.58,-3.87,;7.38,-5.19,;6.86,-6.64,;8.89,-4.92,;9.89,-6.09,;2.05,2,;2.05,3.54,;.71,4.31,;.71,5.85,;.72,1.23,)|
Structure:
Search PDB for entries with ligand similarity: