Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[3-[(3R,6R,9S,12S,15R)-6-[3-(diaminomethylideneamino)propyl]-3-[(4-hydroxyphenyl)methyl]-12-(naphthalen-2-ylmethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.4.0]nonadecan-9-yl]propyl]guanidine
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 PubChem ID
CID: 44418884
Canonical SMILES
NC(N)=NCCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC1=O
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Compound Formula C40H53N11O6
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
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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 > 1000 nM
   TI
   LI
   LO
   TS