Brief Information of the Compound and Protein
Compound Name
1,3-bis[4-[2-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butyl]urea
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PubChem ID
CID: 155559960
Canonical SMILES
CC(C)NC[C@H](O)COc1ccccc1CCCCNC(=O)NCCCCc1ccccc1OC[C@@H](O)CNC(C)C
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Compound Formula C33H54N4O5
Compound Structure
Protein Name
Beta-2 adrenergic receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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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 = 1.585 nM
   TI
   LI
   LO
   TS
2
IC50 = 1.778 nM
   TI
   LI
   LO
   TS
3
Ki = 0.3802 nM
   TI
   LI
   LO
   TS