Brief Information of the Compound and Protein
Compound Name
 Compound Info 
6-[(2Z)-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]-N-[4-[[3,4-dioxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]cyclobuten-1-yl]amino]butyl]hexanamide;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
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 PubChem ID
CID: 156019659
Canonical SMILES
OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.C[N+]1=C(\C=C\C=C\C=C2/N(CCCCCC(=O)NCCCCNc3c(NCCCOc4cccc(CN5CCCCC5)c4)c(=O)c3=O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
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Compound Formula C59H72F6N6O8
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 = 120.23 nM
   TI
   LI
   LO
   TS
2
Kd = 288.4 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 269.15 nM
   TI
   LI
   LO
   TS