Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(4S,7S,10S,13R)-13-(3-Guanidino-propionylamino)-10-(3-guanidino-propyl)-7-naphthalen-2-ylmethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid [2-(4-hydroxy-phenyl)-ethyl]-amide
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 PubChem ID
CID: 5278945
SID: 16262163
Canonical SMILES
NC(=N)NCCC[C@@H]1NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(=O)NCCc1ccc(O)cc1)NC(=O)CCNC(N)=N
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Compound Formula C37H49N11O6S2
Compound Structure
Protein Name
 Protein Info 
C-X-C chemokine receptor type 4
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
>
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 = 530 nM
   TI
   LI
   LO
   TS