PPIRE19165
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-[Sar9-NMe-Nle11]CP04 |
|---|---|
| Peptide_Sequence | eeeeeeAYXWXDF |
| Peptide_Length | 13 |
| Peptide_SMILES | C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| Chemical_Modification | X9=N-methylglycine; X11=N-methylnorleucine |
| 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 | 1589.55 |
|---|---|
| Aliphatic_Index | 7.69231 |
| Aromaticity | 0.23077 |
| Average_Rotatable_Bonds | 3.92308 |
| Charge_at_pH_7 | -6.99177 |
| Isoelectric_Point | 3.14082 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 22 |
| Number_of_Hydrogen_Bond_Donors | 23 |
| Topological_Polar_Surface_Area | 709.64000 |
| X_logP_energy | -4.92290 |
Interaction Information
| Affinity | IC50=0.09 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 |