PPIRE12238

Target Protein Information
Protein_Name C-C chemokine receptor type 5
Protein_Sequence MDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names CCR5
UniProt_ID P51681
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name R2.0
Peptide_Sequence CFPYITRPGTYHDXYO
Peptide_Length 16
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CS)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O
Chemical_Modification X15=1-naphthylalanine; O17=L-ornithine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1847.03
Aliphatic_Index 24.37500
Aromaticity 0.25000
Average_Rotatable_Bonds 3.12500
Charge_at_pH_7 0.02481
Isoelectric_Point 7.34926
Number_of_Hydrogen_Bond_Acceptors 26
Number_of_Hydrogen_Bond_Donors 26
Topological_Polar_Surface_Area 711.27000
X_logP_energy -5.89423
Interaction Information
Affinity IC50=104 nM
Affinity_Assay envelope-mediated fusion assay
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Molecular engineering of RANTES peptide mimetics with potent anti-HIV-1 activity.
Release_Year 2011
PMID 21199933
DOI 10.1096/fj.10-167627