PPIPT01811

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 HD20
Peptide_Sequence HHHQVYQVRSHWTGMHSGHD
Peptide_Length 20
Peptide_SMILES CSCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)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 2436.61
Aliphatic_Index 29.00000
Aromaticity 0.10000
Average_Rotatable_Bonds 3.75000
Charge_at_pH_7 0.54303
Isoelectric_point 7.96936
Number_of_Hydrogen_Bond_Acceptors 36
Number_of_Hydrogen_Bond_Donors 38
Topological_Polar_Surface_Area 1070.39000
X_logP_energy -11.96113
Interaction Information
Affinity KD=235 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