Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(R)-13-(3-Guanidino-propionylamino)-10-(3-guanidino-propyl)-7-((S)-(R)-1-naphthalen-2-ylmethyl)-6,9-dioxo-12-(R)-oxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid amide
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 PubChem ID
CID: 11411355
SID: 16507026
Canonical SMILES
NC(=N)NCCC[C@H]1NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O)NC(=O)CCNC(N)=N
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Compound Formula C29H41N11O5S2
Compound Structure
Protein Name
 Protein Info 
C-X-C chemokine receptor type 4
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Chemokine receptor
>
CXC chemokine receptor
Uniprot ID
P61073
Gene Name
CXCR4
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 = 690 nM
   TI
   LI
   LO
   TS