Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-[7-[4-[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]-2,6-dimethylpyridin-1-ium-1-yl]heptylamino]-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]cyclobut-3-ene-1,2-dione;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
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 PubChem ID
CID: 156017662
Canonical SMILES
OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c(C)c2)cc1
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Compound Formula C49H61F6N5O7
Compound Structure
Protein Name
 Protein Info 
Histamine H2 receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Monoamine receptor
>
Histamine receptor
Uniprot ID
P25021
Gene Name
HRH2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  3
1
Kd = 18.62 nM
   TI
   LI
   LO
   TS
2
Kd = 64.57 nM
   TI
   LI
   LO
   TS
3
Kd = 89.13 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 17.38 nM
   TI
   LI
   LO
   TS