Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2R,3R,4S,5S)-2-(6-(3-iodobenzylamino)-9H-purin-9-yl)-4-(aminomethyl)-5-(hydroxymethyl)-tetrahydrofuran-3-ol
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 PubChem ID
CID: 10345700
SID: 15357223
Canonical SMILES
NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
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Compound Formula C18H21IN6O3
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A2a
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Nucleotide-like receptor (family A GPCR)
>
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
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  7
1
Ki = 6.5 nM
   TI
   LI
   LO
   TS
2
Ki = 56 nM
   TI
   LI
   LO
   TS
3
Ki = 58 nM
   TI
   LI
   LO
   TS
4
Ki = 59 nM
   TI
   LI
   LO
   TS
5
Ki = 64 nM
   TI
   LI
   LO
   TS
6
Ki = 67 nM
   TI
   LI
   LO
   TS
7
Ki = 79 nM
   TI
   LI
   LO
   TS