Brief Information of the Compound and Protein
Compound Name
 Compound Info 
[[(2R,3S,4R,5R)-5-[4-[3-[4-[2-[2-[1-[3-[6-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]acetyl]amino]hexanoylamino]propyl]triazol-4-yl]ethylamino]-2-oxoethoxy]phenyl]propoxyamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
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 PubChem ID
CID: 90656230
Canonical SMILES
O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc(OCC(=O)NCCc3cn(CCCNC(=O)CCCCCNC(=O)COc4ccc(\C=C\c5ccc6C=C7C=CC(c8cccs8)=[N+]7[B-](F)(F)n56)cc4)nn3)cc2)[nH]c1=O
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Compound Formula C56H67BF2N11O20P3S
Compound Structure
Protein Name
 Protein Info 
P2Y purinoceptor 4
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
P51582
Gene Name
P2RY4
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
EC50 = 70 nM
   TI
   LI
   LO
   TS