PPIRE18916

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 AMW3-130
Peptide_Sequence YCHfRWNAFCY
Peptide_Length 11
Peptide_SMILES C[C@H](NC(=O)[C@H](CC(N)=O)NC(=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](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
Chemical_Modification None
Cyclization_Method side chain-side chain cyclization; C2<-->C10; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1509.72
Aliphatic_Index 9.09091
Aromaticity 0.45455
Average_Rotatable_Bonds 3.72727
Charge_at_pH_7 0.96324
Isoelectric_Point 8.22620
Hydrogen_Bond_Acceptors 19
Hydrogen_Bond_Donors 22
Topological_Polar_Surface_Area 544.24000
X_logP_energy -1.66373
Interaction Information
Affinity EC50=7600 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