PPIRE03207

Target Protein Information
Protein_Name C-C chemokine receptor type 5
Protein_Sequence MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
Organism_Source Homo sapiens
Functional_Classification receptor
Cellular_Localization Plasma membrane
Gene_Names CCR5
UniProt_ID P51681
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name 4DV3-FITC
Peptide_Sequence lgaswhrpdk
Peptide_Length 10
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)O
Chemical_Modification 1-10=D-amino acids
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Other
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1166.30
Aliphatic_Index 49.00000
Aromaticity 0.10000
Average_Rotatable_Bonds 3.50000
Charge_at_pH_7 1.08904
Isoelectric_Point 9.69702
Number_of_Hydrogen_Bond_Acceptors 16
Number_of_Hydrogen_Bond_Donors 18
Topological_Polar_Surface_Area 506.35000
X_logP_energy -4.48583
Interaction Information
Affinity IC50=4.32 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Design and evaluation of a CXCR4 targeting peptide 4DV3 as an HIV entry inhibitor and a ligand for targeted drug delivery.
Release_Year 2019
PMID 29894816
DOI 10.1016/j.ejpb.2018.06.004