Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1'R,2'S,4'S,5'S)-4-(2-ethynyl-6-methylaminopurin-9-yl)-1-[(phosphato)-methyl]-2-(phosphato)-bicyclo[3.1.0]hexane
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 PubChem ID
CID: 44425069
Canonical SMILES
CNc1nc(nc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12)C#C
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Compound Formula C15H19N5O8P2
Compound Structure
Protein Name
 Protein Info 
P2Y purinoceptor 1
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
>
Nucleotide-like receptor (family A GPCR)
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Purine receptor
Uniprot ID
P47900
Gene Name
P2RY1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 93 nM
   TI
   LI
   LO
   TS
2
IC50 = 93.33 nM
   TI
   LI
   LO
   TS
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 95 nM
   TI
   LI
   LO
   TS