Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(4R,7S,10S,13S,16S)-16-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-13-[3-(diaminomethylideneamino)propyl]-7-(1H-imidazol-5-ylmethyl)-3,3-dimethyl-10-(naphthalen-2-ylmethyl)-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxylic acid
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 PubChem ID
CID: 131801411
Canonical SMILES
C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H]1CSSC(C)(C)[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O
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Compound Formula C44H63N15O9S2
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)
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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
CL000108 CCRF-CEM
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 6 nM
   TI
   LI
   LO
   TS
2
IC50 = 20 nM
   TI
   LI
   LO
   TS