PPIPT01698

Target Protein Information
Protein_Name Hepatitis A virus cellular receptor 2
Protein_Sequence MFSHLPFDCVLLLLLLLLTRSSEVEYRAEVGQNAYLPCFYTPAAPGNLVPVCWGKGACPVFECGNVVLRTDERDVNYWTSRYWLNGDFRKGDVSLTIENVTLADSGIYCCRIQIPGIMNDEKFNLKLVIKPAKVTPAPTRQRDFTAAFPRMLTTRGHGPAETQTLGSLPDINLTQISTLANELRDSRLANDLRDSGATIRIGIYIGAGICAGLALALIFGALIFKWYSHSKEKIQNLSLISLANLPPSGLANAVAEGIRSEENIYTIEENVYEVEEPNEYYCYVSSRQQPSQPLGCRFAMP
Organism_Source Homo sapiens
Functional_Classification Virus entry receptor
Cellular_Localization Plasma membrane
Gene_Names HAVCR2
UniProt_ID Q8TDQ0
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name K3
Peptide_Sequence SQEVFAWTFSPRWTTAPKAL
Peptide_Length 20
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2323.64
Aliphatic_Index 49.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 3.35000
Charge_at_pH_7 0.99946
Isoelectric_point 9.69503
Number_of_Hydrogen_Bond_Acceptors 30
Number_of_Hydrogen_Bond_Donors 32
Topological_Polar_Surface_Area 899.68000
X_logP_energy -7.03333
Interaction Information
Affinity KD=20.1 uM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Antagonist
Structure
Reference Information
Document_Type Patent
Title IMMUNE CHECKPOINT TIM3-TARGETING BINDING PEPTIDE AND APPLICATION THEREOF
Release_Year 2022
Patent_ID EP4105227A1