PPIRE17939

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 Compound_8
Peptide_Sequence YCHfXRNAPCY
Peptide_Length 11
Peptide_SMILES C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=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)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
Chemical_Modification X5=MIM(Arg)
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 1330.50
Aliphatic_Index 9.09091
Aromaticity 0.27273
Average_Rotatable_Bonds 3.27273
Charge_at_pH_7 0.96324
Isoelectric_Point 8.22620
Hydrogen_Bond_Acceptors 19
Hydrogen_Bond_Donors 20
Topological_Polar_Surface_Area 519.66000
X_logP_energy -4.49283
Interaction Information
Affinity EC50=85 nM
Affinity_Assay cAMP-based Beta-galactosidase reporter gene assay
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Research Articles
Title Incorporation of a Bioactive Reverse-Turn Heterocycle into a Peptide Template Using Solid-Phase Synthesis To Probe Melanocortin Receptor Selectivity and Ligand Conformations by 2D 1H NMR
Release_Year 2011
PMID 21306168
DOI 10.1021/jm101425m