Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(4R,7S,10S,13S,16R)-7,10-dibenzyl-16-[[(2S)-2-[[4-(diaminomethylideneamino)benzoyl]amino]propanoyl]amino]-13-[3-(diaminomethylideneamino)propyl]-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxylic acid
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 PubChem ID
CID: 137647496
Canonical SMILES
C[C@H](NC(=O)c1ccc(NC(N)=N)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(O)=O
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Compound Formula C41H52N12O8S2
Compound Structure
Protein Name
 Protein Info 
C-X-C chemokine receptor type 4
Protein Classification
Membrane receptor
>
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
CL000108 CCRF-CEM
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS