Brief Information of the Compound and Protein
Compound Name
 Compound Info 
3-[(1S,4R,7S,10S,13S,16S,21S)-7-[3-(diaminomethylideneamino)propyl]-4-[(4-hydroxyphenyl)methyl]-9-methyl-13-(naphthalen-2-ylmethyl)-2,5,8,11,14-pentaoxo-3,6,9,12,15-pentazatricyclo[13.7.0.016,21]docosan-10-yl]propylurea
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 PubChem ID
CID: 137657155
Canonical SMILES
CN1[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C1=O
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Compound Formula C44H58N10O7
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 > 30000 nM
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   LI
   LO
   TS