PPIRE01572

Target Protein Information
Protein_Name Cytotoxic T-lymphocyte protein 4
Protein_Sequence MACLGFQRHKAQLNLATRTWPCTLLFFLLFIPVFCKAMHVAQPAVVLASSRGIASFVCEYASPGKATEVRVTVLRQADSQVTEVCAATYMMGNELTFLDDSICTGTSSGNQVNLTIQGLRAMDTGLYICKVELMYPPPYYLGIGNGTQIYVIDPEPCPDSDFLLWILAAVSSGLFFYSFLLTAVSLSKMLKKRSPLTTGVYVKMPPTEPECEKQFQPYFIPIN
Organism_Source Homo sapiens
Functional_Classification Immune-related protein
Cellular_Localization Plasma membrane
Gene_Names CTLA4
UniProt_ID P16410
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name C4m-3127
Peptide_Sequence CMHPFLPIVSVHFC
Peptide_Length 14
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CS)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)O)C(C)C)C(C)C
Chemical_Modification None
Cyclization_Method C1<->C14, side chain cyclization, disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1630.02
Aliphatic_Index 97.14286
Aromaticity 0.14286
Average_Rotatable_Bonds 3.21429
Charge_at_pH_7 0.05585
Isoelectric_Point 7.41916
Number_of_Hydrogen_Bond_Acceptors 21
Number_of_Hydrogen_Bond_Donors 18
Topological_Polar_Surface_Area 501.63000
X_logP_energy -0.86070
Interaction Information
Affinity EC50=0.472 uM
Affinity_Assay flow cytometry
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Rational Strategy for Designing Peptidomimetic Small Molecules Based on Cyclic Peptides Targeting Protein-Protein Interaction between CTLA-4 and B7-1.
Release_Year 2022
PMID 36558957
DOI 10.3390/ph15121506