Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[3-[(2S,5R,8R,11S)-8-[3-(diaminomethylideneamino)propyl]-2-[(4-hydroxyphenyl)methyl]-11-(naphthalen-2-ylmethyl)-3,6,9,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-5-yl]propyl]guanidine
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 PubChem ID
CID: 44400299
Canonical SMILES
NC(=N)NCCC[C@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H](Cc2ccc3ccccc3c2)NC1=O
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Compound Formula C36H48N10O5
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 > 1000 nM
   TI
   LI
   LO
   TS