PPIRE19162
Target Protein Information
| Protein_Name | Gastrin/cholecystokinin type B receptor |
|---|---|
| Protein_Sequence | MELLKLNRSVQGTGPGPGASLCRPGAPLLNSSSVGNLSCEPPRIRGAGTRELELAIRITLYAVIFLMSVGGNMLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLSLVAIALERYSAICRPLQARVWQTRSHAARVIVATWLLSGLLMVPYPVYTVVQPVGPRVLQCVHRWPSARVRQTWSVLLLLLLFFIPGVVMAVAYGLISRELYLGLRFDGDSDSDSQSRVRNQGGLPGAVHQNGRCRPETGAVGEDSDGCYVQLPRSRPALELTALTAPGPGSGSRPTQAKLLAKKRVVRMLLVIVVLFFLCWLPVYSANTWRAFDGPGAHRALSGAPISFIHLLSYASACVNPLVYCFMHRRFRQACLETCARCCPRPPRARPRALPDEDPPTPSIASLSRLSYTTISTLGPG |
| Organism_Source | Homo sapiens |
| Functional_Classification | G protein-coupled receptor |
| Cellular_Localization | Plasma membrane |
| Gene_Names | CCKBR |
| UniProt_ID | P32239 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | natGa-DOTA-[DPro9]DGlu-MG0 |
|---|---|
| Peptide_Sequence | eAYpWMDF |
| Peptide_Length | 8 |
| Peptide_SMILES | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| Chemical_Modification | p9=D-proline |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | DOTA-natGa |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1058.17 |
|---|---|
| Aliphatic_Index | 12.50000 |
| Aromaticity | 0.37500 |
| Average_Rotatable_Bonds | 3.50000 |
| Charge_at_pH_7 | -2.00064 |
| Isoelectric_Point | 3.55007 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 13 |
| Number_of_Hydrogen_Bond_Donors | 12 |
| Topological_Polar_Surface_Area | 368.85000 |
| X_logP_energy | 0.32560 |
Interaction Information
| Affinity | IC50=4.6 nM |
|---|---|
| Affinity_Assay | Radioligand binding assay |
| PDB_ID | None |
| Type | Agonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | A New Turn in Peptide-Based Imaging Agents: Foldamers Afford Improved Theranostics Targeting Cholecystokinin-2 Receptor-Positive Cancer |
| Release_Year | 2021 |
| PMID | 33826325 |
| DOI | 10.1021/acs.jmedchem.0c02213 |