PPIRE07430

Target Protein Information
Protein_Name Melanocortin receptor 4
Protein_Sequence MVNSTHRGMHTSLHLWNRSSYRLHSNASESLGKGYSDGGCYEQLFVSPEVFVTLGVISLLENILVIVAIAKNKNLHSPMYFFICSLAVADMLVSVSNGSETIVITLLNSTDTDAQSFTVNIDNVIDSVICSSLLASICSLLSIAVDRYFTIFYALQYHNIMTVKRVGIIISCIWAACTVSGILFIIYSDSSAVIICLITMFFTMLALMASLYVHMFLMARLHIKRIAVLPGTGAIRQGANMKGAITLTILIGVFVVCWAPFFLHLIFYISCPQNPYCVCFMSHFNLYLILIMCNSIIDPLIYALRSQELRKTFKEIICCYPLGGLCDLSSRY
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names MC4R
UniProt_ID P32245
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name SHU9119
Peptide_Sequence XDHXRWK
Peptide_Length 7
Peptide_SMILES N=C(N)NCCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O
Chemical_Modification X1=norleucine; X4=D-(2')naphthylalanine
Cyclization_Method Side chain-side chain cyclization; D2<->K7; amide bond
Linear/Cyclic Cyclic
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 854.92
Aliphatic_Index 0.00000
Aromaticity 0.14286
Average_Rotatable_Bonds 3.85714
Charge_at_pH_7 1.08904
Isoelectric_Point 9.69702
Number_of_Hydrogen_Bond_Acceptors 12
Number_of_Hydrogen_Bond_Donors 15
Topological_Polar_Surface_Area 407.61000
X_logP_energy -3.87333
Interaction Information
Affinity Ki=0.06 nM
Affinity_Assay competitive radioligand binding assay
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Selective, high affinity peptide antagonists of alpha-melanotropin action at human melanocortin receptor 4: their synthesis and biological evaluation in vitro.
Release_Year 2001
PMID 11606131
DOI 10.1021/jm010165y