Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-[(2E)-2-[(2E,4E)-5-[1-[6-[4-[[3,4-dioxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]cyclobuten-1-yl]amino]butylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;2,2,2-trifluoroacetic acid
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 PubChem ID
CID: 156017617
Canonical SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCCCNc2c(NCCCOc3cccc(CN4CCCCC4)c3)c(=O)c2=O)c2ccccc12
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Compound Formula C62H78F6N6O11S
Compound Structure
Protein Name
 Protein Info 
Histamine H2 receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Monoamine receptor
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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)  2
1
Kd = 169.82 nM
   TI
   LI
   LO
   TS
2
Kd = 562.34 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 323.59 nM
   TI
   LI
   LO
   TS