PPIPT02537

Target Protein Information
Protein_Name Programmed cell death protein 1
Protein_Sequence MQIPQAPWPVVWAVLQLGWRPGWFLDSPDRPWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTERRAEVPTAHPSPSPRPAGQFQTLVVGVVGGLLGSLVLLVWVLAVICSRAARGTIGARRTGQPLKEDPSAVPVFSVDYGELDFQWREKTPEPPVPCVPEQTEYATIVFPSGMGTSSPARRGSADGPRSAQPLRPEDGHCSWPL
Organism_Source Homo sapiens
Functional_Classification Immune checkpoint receptor (Ig superfamily)
Cellular_Localization Plasma membrane
Gene_Names PDCD1
UniProt_ID Q15116
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name QP20
Peptide_Sequence QTRTVPMPKIHHPPWQNWP
Peptide_Length 19
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)O
Chemical_Modification None
Cyclization_Method none
Linear/Cyclic Linear
N-terminal_Modification free
C-terminal_Modification free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2350.73
Aliphatic_Index 35.78947
Aromaticity 0.10526
Average_Rotatable_Bonds 3.36842
Charge_at_pH_7 2.17950
Isoelectric_point 11.65180
Number_of_Hydrogen_Bond_Acceptors 30
Number_of_Hydrogen_Bond_Donors 28
Topological_Polar_Surface_Area 889.76000
X_logP_energy -5.94923
Interaction Information
Affinity KD=10.7 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 EP003795167A1