Brief Information of the Compound and Protein
Compound Name
[2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonopropyl]phosphonic acid
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PubChem ID
CID: 10894633
SID: 15942110
Canonical SMILES
CNc1nc(Cl)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12
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Compound Formula C10H16ClN5O6P2
Compound Structure
Protein Name
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)
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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 Homo sapiens (Human)  2
1
IC50 = 616.6 nM
   TI
   LI
   LO
   TS
2
IC50 = 620 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 76 nM
   TI
   LI
   LO
   TS