Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2E)-1-[6-[2-[[4-[3-[8-(1-adamantyl)-2,6-dioxo-1-propyl-7H-purin-3-yl]propylcarbamoyl]benzoyl]amino]ethylamino]-6-oxohexyl]-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethyl-5-sulfoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonate
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 PubChem ID
CID: 166626387
Canonical SMILES
CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)C(=O)NCCNC(=O)CCCCC[N+]2=C(\C=C\C=C\C=C3\N(C)c4ccc(cc4C3(C)C)S(O)(=O)=O)C(C)(C)c3cc(ccc23)S([O-])(=O)=O)c2nc([nH]c2c1=O)C12CC3CC(CC(C3)C1)C2
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Compound Formula C63H77N9O11S2
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A1
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Nucleotide-like receptor (family A GPCR)
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Adenosine receptor
Uniprot ID
P30542
Gene Name
ADORA1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000386 Flp-In-CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS