PPIRE09070
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 | NODAGA-GGNle-CycMSHhex |
|---|---|
| Peptide_Sequence | GGXDHfRWK |
| Peptide_Length | 9 |
| 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)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O |
| Chemical_Modification | X3=Nle |
| Cyclization_Method | Side chain-side chain cyclization; D4<->K9; amide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Nodaga |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1059.15 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.22222 |
| Average_Rotatable_Bonds | 3.66667 |
| Charge_at_pH_7 | 1.08904 |
| Isoelectric_Point | 9.69702 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 14 |
| Number_of_Hydrogen_Bond_Donors | 17 |
| Topological_Polar_Surface_Area | 465.81000 |
| X_logP_energy | -4.02963 |
Interaction Information
| Affinity | IC50=0.87 nM |
|---|---|
| Affinity_Assay | in vitro competitive binding assay |
| PDB_ID | None |
| Type | Agonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Facile preparation of a novel Ga-67-labeled NODAGA-conjugated lactam-cyclized alpha-MSH peptide at room temperature for melanoma targeting. |
| Release_Year | 2020 |
| PMID | 33141072 |
| DOI | 10.1016/j.bmcl.2020.127627 |