PPIRE00556

Target Protein Information
Protein_Name C-X-C chemokine receptor type 4
Protein_Sequence MEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNKIFLPTIYSIIFLTGIVGNGLVILVMGYQKKLRSMTDKYRLHLSVADLLFVITLPFWAVDAVANWYFGNFLCKAVHVIYTVNLYSSVLILAFISLDRYLAIVHATNSQRPRKLLAEKVVYVGVWIPALLLTIPDFIFANVSEADDRYICDRFYPNDLWVVVFQFQHIMVGLILPGIVILSCYCIIISKLSHSKGHQKRKALKTTVILILAFFACWLPYYIGISIDSFILLEIIKQGCEFENTVHKWISITEALAFFHCCLNPILYAFLGAKFKTSAQHALTSVSRGSSLKILSKGKRGGHSSVSTESESSSFHSS
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names CXCR4
UniProt_ID P61073
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name AR6r
Peptide_Sequence XKRKTNNNPRTC
Peptide_Length 12
Peptide_SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O
Chemical_Modification X1=6-Aminohexanoic acid
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1388.57
Aliphatic_Index 0.00000
Aromaticity 0.00000
Average_Rotatable_Bonds 3.91667
Charge_at_pH_7 3.93541
Isoelectric_Point 11.65159
Number_of_Hydrogen_Bond_Acceptors 23
Number_of_Hydrogen_Bond_Donors 26
Topological_Polar_Surface_Area 720.20000
X_logP_energy -12.02916
Interaction Information
Affinity IC50=17 nM
Affinity_Assay Antibody Competitive Binding Assay
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title High affinity CXCR4 inhibitors generated by linking low affinity peptides.
Release_Year 2019
PMID 30978562
DOI 10.1016/j.ejmech.2019.03.056