Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(E)-5,5-difluoro-3-(4-(23-(2-(4-methoxyphenyl)-1-oxo-1,2,5a,9a-tetrahydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylamino)-2,9,20,23-tetraoxo-13,16-dioxa-3,10,19-triazatricosyloxy)styryl)-7-(thiophen-2-yl)-5H-dipyrrolo[1,2-c:1',2'-f][1,3,2]diazaborinin-4-ium-5-uide
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 PubChem ID
CID: 56965016
SID: 135679481
Canonical SMILES
COc1ccc(-n2nc3c(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCCCCNC(=O)COc4ccc(/C=C/C5=[N+]6C(=Cc7ccc(-c8cccs8)n7[B-]6(F)F)C=C5)cc4)nc4ccccc4n3c2=O)cc1
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Compound Formula C55H57BF2N10O9S
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A3
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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Adenosine receptor
Uniprot ID
P0DMS8
Gene Name
ADORA3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Kd = 0.4365 nM
   TI
   LI
   LO
   TS