Brief Information of the Compound and Protein
Compound Name
3-(4-(2-(6-amino-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-8,9-dihydro-7H-purin-2-ylamino)ethyl)phenyl)propanoic acid
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PubChem ID
CID: 73348947
Canonical SMILES
CCNC(=O)[C@H]1O[C@@H](N2CNc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O
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Compound Formula C23H31N7O6
Compound Structure
Protein Name
Adenosine receptor A2a
Protein Classification
Membrane receptor
>
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
P29274
Gene Name
ADORA2A
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 130 nM
   TI
   LI
   LO
   TS
2
Ki = 79 nM
   TI
   LI
   LO
   TS