Brief Information of the Compound and Protein
Compound Name
 Compound Info 
1-N-[2-[2-[2-[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]hexanoylamino]ethoxy]ethoxy]ethyl]-5-[[5-(6,13-dimethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaenyl)-2-oxo-4-sulfanylidenepyrimidin-1-yl]methyl]-3-N-(2H-tetrazol-5-yl)benzene-1,3-dicarboxamide
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 PubChem ID
CID: 145961026
Canonical SMILES
Cc1ccc2C(c3ccc(C)cc3C=Cc2c1)c1cn(Cc2cc(cc(c2)C(=O)Nc2nnn[nH]2)C(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)c(=O)[nH]c1=S
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Compound Formula C66H67BF2N12O8S2
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 = 851.14 nM
   TI
   LI
   LO
   TS