Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-[2-[2-[2-[3-[[12-chloro-2-(1-methyl-2-oxo-4-sulfanylidenepyrimidin-5-yl)-6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-5-yl]amino]propanoylamino]ethoxy]ethoxy]ethyl]-6-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraen-4-yl)ethenyl]phenoxy]acetyl]amino]hexanamide
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 PubChem ID
CID: 145961148
Canonical SMILES
Cn1cc(C2c3nc(NCCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc4ccc(\C=C\C5=[N+]6C(Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)sc3C=Cc3cc(Cl)ccc23)c(=S)[nH]c1=O
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Compound Formula C55H59BClF2N9O7S3
Compound Structure
Protein Name
 Protein Info 
P2Y purinoceptor 2
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
P41231
Gene Name
P2RY2
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)  1
1
Kd = 5128.61 nM
   TI
   LI
   LO
   TS