PPIRE11125

Target Protein Information
Protein_Name Programmed cell death 1 ligand 1
Protein_Sequence MRIFAVFIFMTYWHLLNAFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIPELPLAHPPNERTHLVILGAILLCLGVALTFIFRLRKGRMMDVKKCGIQDTNSKKQSDTHLEET
Organism_Source Homo sapiens
Functional_Classification immune checkpoint receptors
Cellular_Localization Plasma membrane
Gene_Names CD274
UniProt_ID Q9NZQ7
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name IMB-P6
Peptide_Sequence LTCSLAPNIISQL
Peptide_Length 13
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1372.64
Aliphatic_Index 157.69231
Aromaticity 0.00000
Average_Rotatable_Bonds 3.30769
Charge_at_pH_7 -0.06399
Isoelectric_Point 5.92254
Number_of_Hydrogen_Bond_Acceptors 20
Number_of_Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 550.60000
X_logP_energy -5.59140
Interaction Information
Affinity IC50=35.86 uM
Affinity_Assay homogeneous time-resolved fluorescence
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Discovery of hPRDX5-based peptide inhibitors blocking PD-1/PD-L1 interaction through in silico proteolysis and rational design.
Release_Year 2019
PMID 31745591
DOI 10.1007/s00280-019-03995-z