Target
Tyrosine-protein kinase BTK
Ligand
BDBM485340
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
5.25±n/a nM
Citation
 Arora, NBacani, GMBarbay, JKBembenek, SDCai, MChen, WDeckhut, CPEdwards, JPGhosh, BKreutter, KDLi, GTichenor, MSVenable, JDWei, JWiener, JJWu, YXiao, KZhang, FZhu, 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:
BDBM485340
Synonyms:
N-((1R,2S)-2-Acrylamidocyclohexyl)-5-(*R)-(4-isopropoxy-2- methylphenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide | US10934310, Ex # 174 | US11319329, Ex # 174
Type:
Small organic molecule
Emp. Form.:
C28H31N5O4S
Mol. Mass.:
533.642
SMILES:
CC(C)Oc1ccc(c(C)c1)-n1c2ccnc3sc(C(=O)N[C@@H]4CCCC[C@@H]4NC(=O)C=C)c([nH]c1=O)c23 |r,wU:22.22,27.29,(-9.32,3.6,;-7.98,2.83,;-7.98,1.29,;-6.65,3.6,;-5.32,2.83,;-5.32,1.29,;-3.98,.52,;-2.65,1.29,;-2.65,2.83,;-1.32,3.6,;-3.98,3.6,;-1.32,.52,;-1.32,-1.02,;-2.65,-1.79,;-2.65,-3.33,;-1.32,-4.1,;.02,-3.33,;1.48,-3.81,;2.39,-2.56,;3.93,-2.56,;4.7,-3.9,;4.7,-1.23,;6.24,-1.23,;7.01,-2.56,;8.55,-2.56,;9.32,-1.23,;8.55,.1,;7.01,.1,;6.24,1.44,;7.01,2.77,;6.24,4.1,;8.55,2.77,;9.32,1.44,;1.35,-1.02,;1.35,.52,;.02,1.29,;.02,2.83,;.02,-1.79,)|
Structure:
Search PDB for entries with ligand similarity: