PPIRE00555
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 | AR6 |
|---|---|
| Peptide_Sequence | lgaswhrpdkkrXKRKTNNNPRTC |
| Peptide_Length | 24 |
| Peptide_SMILES | CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)[C@@H](C)O |
| Chemical_Modification | X13=6-Aminohexanoic acid |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 2821.22 |
|---|---|
| Aliphatic_Index | 20.41667 |
| Aromaticity | 0.04167 |
| Average_Rotatable_Bonds | 3.95833 |
| Charge_at_pH_7 | 7.02617 |
| Isoelectric_Point | 12.12275 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 42 |
| Number_of_Hydrogen_Bond_Donors | 49 |
| Topological_Polar_Surface_Area | 1338.45000 |
| X_logP_energy | -18.06662 |
Interaction Information
| Affinity | IC50=39 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 |