Brief Information of the Compound and Protein
Compound Name
 Compound Info 
Allyl-[1-((2S,3aS,4S,5S)-2,4-diphenyl-hexahydro-pyrrolo[1,2-b]isoxazol-5-ylmethyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester
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 PubChem ID
CID: 10008665
SID: 14988521
Canonical SMILES
[O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN4O[C@@H](C[C@H]4[C@@H]3c3ccccc3)c3ccccc3)CC2)cc1
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Compound Formula C35H40N4O5
Compound Structure
Protein Name
 Protein Info 
C-C chemokine receptor type 5
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
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 = 2.5 nM
   TI
   LI
   LO
   TS