Brief Information of the Compound and Protein
Compound Name
(2R,3R,4S,5R)-2-(6-Amino-2-((E)-2-(4-methoxybenzylidene)hydrazinyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
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PubChem ID
CID: 11742562
SID: 16849151
Canonical SMILES
COc1ccc(/C=N/Nc2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
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Compound Formula C18H21N7O5
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1360 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 687 nM
   TI
   LI
   LO
   TS