Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[3-[(2S,5S,11R,12E,14R)-14-[3-(diaminomethylideneamino)propyl]-11-[(4-hydroxyphenyl)methyl]-12,13-dimethyl-5-(naphthalen-2-ylmethyl)-3,6,9,15-tetraoxo-1,4,7,10-tetrazacyclopentadec-12-en-2-yl]propyl]guanidine
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 PubChem ID
CID: 70694125
Canonical SMILES
C\C1=C(C)/[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@@H]1Cc1ccc(O)cc1
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Compound Formula C39H52N10O5
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
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 100 nM
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