PPIRE11292

Target Protein Information
Protein_Name Melanocyte-stimulating hormone receptor
Protein_Sequence MSTQEPQKSLLGSLNSNATSHLGLATNQSEPWCLYVSIPDGLFLSLGLVSLVENVLVVIAITKNRNLHSPMYYFICCLALSDLMVSVSIVLETTIILLLEAGILVARVALVQQLDNLIDVLICGSMVSSLCFLGIIAIDRYISIFYALRYHSIVTLPRARRAVVGIWMVSIVSSTLFITYYKHTAVLLCLVTFFLAMLALMAILYAHMFTRACQHAQGIAQLHKRRRSIRQGFCLKGAATLTILLGIFFLCWGPFFLHLLLIVLCPQHPTCSCIFKNFNLFLLLIVLSSTVDPLIYAFRSQELRMTLKEVLLCSW
Organism_Source Mus musculus
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names Mc1r
UniProt_ID Q01727
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name AcCG3-GGNle-CycMSHhex
Peptide_Sequence CGGGGGXDHFRWK
Peptide_Length 13
Peptide_SMILES N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O
Chemical_Modification X7=norleucine
Cyclization_Method Side chain-side chain cyclization; D8<->K13; amide bond
Linear/Cyclic Cyclic
N-terminal_Modification Acetyl
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1333.45
Aliphatic_Index 0.00000
Aromaticity 0.15385
Average_Rotatable_Bonds 3.23077
Charge_at_pH_7 1.02707
Isoelectric_Point 8.55268
Number_of_Hydrogen_Bond_Acceptors 19
Number_of_Hydrogen_Bond_Donors 22
Topological_Polar_Surface_Area 582.21000
X_logP_energy -7.26643
Interaction Information
Affinity IC50=1.2 nM
Affinity_Assay competitive radioligand binding assay
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Research Articles
Title Design and evaluation of new Tc-99m-labeled lactam bridge-cyclized alpha-MSH peptides for melanoma imaging.
Release_Year 2013
PMID 23418722
DOI 10.1021/mp3006984