PPIPT01640

Target Protein Information
Protein_Name CD40 ligand
Protein_Sequence MIETYNQTSPRSAATGLPISMKIFMYLLTVFLITQMIGSALFAVYLHRRLDKIEDERNLHEDFVFMKTIQRCNTGERSLSLLNCEEIKSQFEGFVKDIMLNKEETKKENSFEMQKGDQNPQIAAHVISEASSKTTSVLQWAEKGYYTMSNNLVTLENGKQLTVKRQGLYYIYAQVTFCSNREASSQAPFIASLCLKSPGRFERILLRAANTHSSAKPCGQQSIHLGGVFELQPGASVFVNVTDPSQVSHGTGFTSFGLLKL
Organism_Source Homo sapiens
Functional_Classification TNF superfamily ligand
Cellular_Localization Plasma membrane
Gene_Names CD40LG
UniProt_ID P29965
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name CD40L-M1-42
Peptide_Sequence HSFVLFGVNVPFNIIDFQMRVKC
Peptide_Length 23
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)O)C(C)C)[C@@H](C)CC
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2711.24
Aliphatic_Index 101.30435
Aromaticity 0.17391
Average_Rotatable_Bonds 3.73913
Charge_at_pH_7 1.02707
Isoelectric_point 8.55268
Number_of_Hydrogen_Bond_Acceptors 34
Number_of_Hydrogen_Bond_Donors 34
Topological_Polar_Surface_Area 998.13000
X_logP_energy -5.54113
Interaction Information
Affinity IC50=44 nM
Affinity_Assay AlphaScreen proximity assay
PDB_ID None
Type Antagonist
Structure
Reference Information
Document_Type Patent
Title CD40-L INHIBITORY PHYLOMER PEPTIDES
Release_Year 2012
Patent_ID US?20120065134?A1