Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-1-[2-[[4-[[[1-[[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]triazol-4-yl]methylamino]methyl]triazol-1-yl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
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 PubChem ID
CID: 155515823
Canonical SMILES
CC(C)NC[C@H](O)COc1ccccc1Cn1cc(CNCc2cn(Cc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1
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Compound Formula C32H47N9O4
Compound Structure
Protein Name
 Protein Info 
Beta-2 adrenergic receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Monoamine receptor
>
Adrenergic receptor
Uniprot ID
P07550
Gene Name
ADRB2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  3
1
IC50 = 6.31 nM
   TI
   LI
   LO
   TS
2
IC50 = 64.57 nM
   TI
   LI
   LO
   TS
3
Ki = 15.49 nM
   TI
   LI
   LO
   TS