PPIPT01637

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-M1-18
Peptide_Sequence LPFVPYRSHVLKYGWFFPVQWSIFAVLPFQYLHRCR
Peptide_Length 36
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 4499.35
Aliphatic_Index 89.16667
Aromaticity 0.27778
Average_Rotatable_Bonds 3.61111
Charge_at_pH_7 4.11497
Isoelectric_point 10.27121
Number_of_Hydrogen_Bond_Acceptors 51
Number_of_Hydrogen_Bond_Donors 55
Topological_Polar_Surface_Area 1534.65000
X_logP_energy -2.30089
Interaction Information
Affinity KD=2.3 nM
Affinity_Assay Bio-Layer Interferometry
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