Brief Information of the Compound and Protein
Compound Name
 Compound Info 
[1-((2S,3aS,4S,5S)-2,4-Diphenyl-hexahydro-pyrrolo[1,2-b]isoxazol-5-ylmethyl)-piperidin-4-yl]-ethyl-carbamic acid benzyl ester
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 PubChem ID
CID: 44373755
Canonical SMILES
CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN3O[C@H](c4ccccc4)C[C@H]3[C@@H]2c2ccccc2)CC1
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Compound Formula C34H41N3O3
Compound Structure
Protein Name
 Protein Info 
C-C chemokine receptor type 5
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Chemokine receptor
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CC chemokine receptor
Uniprot ID
P51681
Gene Name
CCR5
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)  1
1
IC50 ~ 27 nM
   TI
   LI
   LO
   TS