Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1S,2R,4S)-2-[9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-6-ylamino]-7-aza-bicyclo[2.2.1]heptane-7-carboxylic acid tert-butyl ester
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 PubChem ID
CID: 44435358
Canonical SMILES
CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](C2)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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Compound Formula C21H30N6O6
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A1
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
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
CL000331 DDT1-MF2
 Cell Line Info 
Mesocricetus auratus (Golden hamster)  2
1
IC50 = 2.5 nM
   TI
   LI
   LO
   TS
2
Ki = 32 nM
   TI
   LI
   LO
   TS