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]triazol-4-yl]methylamino]methyl]triazol-1-yl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
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 PubChem ID
CID: 155545790
Canonical SMILES
CC(C)NC[C@H](O)COc1ccccc1-n1cc(CNCc2cn(nn2)-c2ccccc2OC[C@@H](O)CNC(C)C)nn1
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Compound Formula C30H43N9O4
Compound Structure
Protein Name
 Protein Info 
Beta-1 adrenergic receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Monoamine receptor
>
Adrenergic receptor
Uniprot ID
P08588
Gene Name
ADRB1
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)  2
1
IC50 = 3630.78 nM
   TI
   LI
   LO
   TS
2
Ki = 478.63 nM
   TI
   LI
   LO
   TS