PPIPT01813

Target Protein Information
Protein_Name Programmed cell death protein 1
Protein_Sequence MWVRQVPWSFTWAVLQLSWQSGWLLEVPNGPWRSLTFYPAWLTVSEGANATFTCSLSNWSEDLMLNWNRLSPSNQTEKQAAFCNGLSQPVQDARFQIIQLPNRHDFHMNILDTRRNDSGIYLCGAISLHPKAKIEESPGAELVVTERILETSTRYPSPSPKPEGRFQGMVIGIMSALVGIPVLLLLAWALAVFCSTSMSEARGAGSKDDTLKEEPSAAPVPSVAYEELDFQGREKTPELPTACVHTEYATIVFTEGLGASAMGRRGSADGLQGPRPPRHEDGHCSWPL
Organism_Source Mus musculus
Functional_Classification Immune checkpoint receptor (PD-1)
Cellular_Localization Plasma membrane
Gene_Names Pdcd1
UniProt_ID Q02242
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name SQ20
Peptide_Sequence SSYHHFKMPELHFGKNTFHQ
Peptide_Length 20
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)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 2472.77
Aliphatic_Index 19.50000
Aromaticity 0.20000
Average_Rotatable_Bonds 3.90000
Charge_at_pH_7 1.36196
Isoelectric_point 9.26558
Number_of_Hydrogen_Bond_Acceptors 35
Number_of_Hydrogen_Bond_Donors 33
Topological_Polar_Surface_Area 978.59000
X_logP_energy -8.28500
Interaction Information
Affinity KD=46.8 uM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Patent
Title PD-1 PEPTIDE INHIBITORS
Release_Year 2021
Patent_ID EP3795167A1