Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-[(2Z)-2-[(2E,4E)-5-[2-[6-[8-[[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]carbamoylamino]octylamino]-6-oxohexyl]-3,3-dimethylisoindol-2-ium-1-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: 166626526
Canonical SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC1(C)N(CCCCCC(=O)NCCCCCCCCNC(=O)\N=C(/N)NCCCc2c[nH]cn2)\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)c2ccccc12
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Compound Formula C57H76F9N9O11S
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)  1
1
EC50 = 338.84 nM
   TI
   LI
   LO
   TS
CL001047 HEK293T-ARRB1
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 426.58 nM
   TI
   LI
   LO
   TS
CL001048 HEK293T-ARRB2
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 114.82 nM
   TI
   LI
   LO
   TS
CL001049 HEK293T-qs5-HA
 Cell Line Info 
Homo sapiens (Human)  1
1
Kd = 56.23 nM
   TI
   LI
   LO
   TS