Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1'S,2'R,3'S,4'S,5'S)-4'-[6-(3-Chlorobenzylamino)-2-(N-cyanine(beta-aminoethylaminocarbonyl)-1-butynyl)-9-yl]-2',3'-dihydroxybicyclo[3.1.0]hexane-1'-carboxylic Acid N-Methylamide
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 PubChem ID
CID: 45483968
Canonical SMILES
CCN1\C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCNC(=O)CCC#Cc3nc(NCc4cccc(Cl)c4)c4ncn([C@@H]5[C@H]6C[C@@]6([C@@H](O)[C@H]5O)C(=O)NC)c4n3)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S([O-])(=O)=O
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Compound Formula C60H69ClN10O8S
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A3
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
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)  2
1
IC50 = 1.09 nM
   TI
   LI
   LO
   TS
2
Ki = 17.2 nM
   TI
   LI
   LO
   TS