Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-(4-(((R)-1-butyl-3-((R)-cyclohexyl(hydroxy)methyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride
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 PubChem ID
CID: 6918686
SID: 16261303
Canonical SMILES
CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2.Cl
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Compound Formula C33H44ClN3O6
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)
>
Chemokine receptor
>
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)  2
1
IC50 = 5.8 nM
   TI
   LI
   LO
   TS
2
IC50 = 34 nM
   TI
   LI
   LO
   TS
CL000149 HOS
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 5.623 nM
   TI
   LI
   LO
   TS
2
IC50 = 5600 nM
   TI
   LI
   LO
   TS