Brief Information of the Compound and Protein
Compound Name
(2S)-1-[2-[12-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]dodecyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
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PubChem ID
CID: 155515551
Canonical SMILES
CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C
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Compound Formula C36H60N2O4
Compound Structure
Protein Name
Beta-2 adrenergic receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
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Monoamine receptor
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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 Homo sapiens (Human)  3
1
IC50 = 6.918 nM
   TI
   LI
   LO
   TS
2
IC50 = 25.7 nM
   TI
   LI
   LO
   TS
3
Ki = 1.148 nM
   TI
   LI
   LO
   TS