Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(Z)-(2S,5S,8R,13S)-13-(3-Guanidino-propionylamino)-2-(3-guanidino-propyl)-5-naphthalen-2-ylmethyl-3,6,14-trioxo-1,4,7triaza-cyclotetradec-10-ene-8-carboxylic acid [2-(4-hydroxy-phenyl)-ethyl]-amide
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 PubChem ID
CID: 44400179
Canonical SMILES
N=C(N)NCCC(=O)N[C@H]1C/C=C\C[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O
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Compound Formula C39H51N11O6
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 = 10000 nM
   TI
   LI
   LO
   TS