PPIRE18912

Target Protein Information
Protein_Name Melanocortin receptor 4
Protein_Sequence MNSTHHHGMYTSLHLWNRSSYGLHGNASESLGKGHPDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVRRVGIIISCIWAACTVSGVLFIIYSDSSAVIICLISMFFTMLVLMASLYVHMFLMARLHIKRIAVLPGTGTIRQGTNMKGAITLTILIGVFVVCWAPFFLHLLFYISCPQNPYCVCFMSHFNLYLILIMCNAVIDPLIYALRSQELRKTFKEIICFYPLGGICELSSRY
Organism_Source Mus musculus
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names Mc4r
UniProt_ID P56450
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name NDP-MSH
Peptide_Sequence SYSXEHfRWGKPV
Peptide_Length 13
Peptide_SMILES CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)O
Chemical_Modification X4=norleucine; f4=D-phenylalanine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1549.71
Aliphatic_Index 22.30769
Aromaticity 0.23077
Average_Rotatable_Bonds 3.53846
Charge_at_pH_7 1.08952
Isoelectric_Point 9.29976
Hydrogen_Bond_Acceptors 21
Hydrogen_Bond_Donors 23
Topological_Polar_Surface_Area 634.11000
X_logP_energy -5.23663
Interaction Information
Affinity EC50=164 nM
Affinity_Assay cAMP-based Beta-galactosidase reporter gene assay
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Research Articles
Title Synthesis Biophysical and Pharmacological Evaluation of the Melanocortin Agonist AST3-88: Modifications of Peptide Backbone at Trp 7 Position Lead to a Potent Selective and Stable Ligand of the Melanocortin 4 Receptor (MC4R)
Release_Year 2014
PMID 25141170
DOI 10.1021/cn5000953