PPIRE02841

Target Protein Information
Protein_Name Melanocyte-stimulating hormone receptor
Protein_Sequence MSTQEPQKSLLGSLNSNATSHLGLATNQSEPWCLYVSIPDGLFLSLGLVSLVENVLVVIAITKNRNLHSPMYYFICCLALSDLMVSVSIVLETTIILLLEAGILVARVALVQQLDNLIDVLICGSMVSSLCFLGIIAIDRYISIFYALRYHSIVTLPRARRAVVGIWMVSIVSSTLFITYYKHTAVLLCLVTFFLAMLALMAILYAHMFTRACQHAQGIAQLHKRRRSIRQGFCLKGAATLTILLGIFFLCWGPFFLHLLLIVLCPQHPTCSCIFKNFNLFLLLIVLSSTVDPLIYAFRSQELRMTLKEVLLCSW
Organism_Source Mus musculus
Functional_Classification Receptor
Cellular_Localization Plasma membrane
Gene_Names Mc1r
UniProt_ID Q01727
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name DOTA-Lys(Dab-IBU)-GGNle-CycMSHhex
Peptide_Sequence KXGGXDHfRWK
Peptide_Length 11
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)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O
Chemical_Modification X2=Dab; X5=norleucine; f8=D?Phe
Cyclization_Method D6<->K11, main chain cyclization, amide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1244.38
Aliphatic_Index 0.00000
Aromaticity 0.18182
Average_Rotatable_Bonds 3.72727
Charge_at_pH_7 2.08875
Isoelectric_Point 10.78905
Number_of_Hydrogen_Bond_Acceptors 17
Number_of_Hydrogen_Bond_Donors 20
Topological_Polar_Surface_Area 550.03000
X_logP_energy -5.29963
Interaction Information
Affinity IC50=0.58 nM
Affinity_Assay NMR chemical shift perturbation
PDB_ID None
Type Affinity ligand
Structure
Reference Information
Document_Type Research Articles
Title Effect of Ibuprofen as an Albumin Binder on Melanoma-Targeting Properties of 177Lu-Labeled Ibuprofen-Conjugated Alpha-Melanocyte-Stimulating Hormone Peptides.
Release_Year 2024
PMID 38973113
DOI 10.1021/acs.molpharmaceut.4c00369