Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[3-[(4R,7S,10S,11Z,13S)-7-[3-(diaminomethylideneamino)propyl]-4-[(4-hydroxyphenyl)methyl]-13-(naphthalen-2-ylmethyl)-2,5,8,14-tetraoxo-1,3,6,9-tetrazacyclotetradec-11-en-10-yl]propyl]guanidine
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 PubChem ID
CID: 70695561
Canonical SMILES
NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)\C=C/1
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Compound Formula C36H46N10O5
Compound Structure
Protein Name
 Protein Info 
C-X-C chemokine receptor type 4
Protein Classification
Membrane receptor
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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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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 = 31000 nM
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   LI
   LO
   TS