PPIPT01634

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-M1-9
Peptide_Sequence PPRYNLFFLFRFYCSFRRDYLYF
Peptide_Length 23
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)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 3131.65
Aliphatic_Index 50.86957
Aromaticity 0.43478
Average_Rotatable_Bonds 4.00000
Charge_at_pH_7 2.93304
Isoelectric_point 9.69430
Number_of_Hydrogen_Bond_Acceptors 36
Number_of_Hydrogen_Bond_Donors 43
Topological_Polar_Surface_Area 1109.88000
X_logP_energy -2.29222
Interaction Information
Affinity IC50=81.1 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