Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[3-[(2S,5S,8S,14R)-6-amino-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-8-(naphthalen-2-ylmethyl)-3,9,12,15-tetraoxo-1,4,7,10,13-pentazacyclopentadec-6-en-2-yl]propyl]guanidine
    Show/Hide
 PubChem ID
CID: 66558750
SID: 152189179
Canonical SMILES
NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)N=C(N)[C@H](CCCN=C(N)N)NC1=O
    Show/Hide
Compound Formula C36H48N12O5
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
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 11 nM
   TI
   LI
   LO
   TS