PPIRE00525
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 | Compound 20 |
|---|---|
| Peptide_Sequence | DXLGWXXX |
| Peptide_Length | 8 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)NCC(=O)O |
| Chemical_Modification | X2=Sulfotyrosine, X6=Norleucine, X7=N-methyl-D-aspartic acid, X8=N-methylphenylalanine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | C18 Dicarboxylic Acid |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 717.74 |
|---|---|
| Aliphatic_Index | 48.75000 |
| Aromaticity | 0.12500 |
| Average_Rotatable_Bonds | 2.62500 |
| Charge_at_pH_7 | -1.00157 |
| Isoelectric_Point | 3.74999 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 10 |
| Number_of_Hydrogen_Bond_Donors | 11 |
| Topological_Polar_Surface_Area | 320.11000 |
| X_logP_energy | -3.80630 |
Interaction Information
| Affinity | IC50=55 nM |
|---|---|
| Affinity_Assay | Scintillation Proximity Assay (SPA) |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Structure-Activity Relationships and Characterization of Highly Selective, Long-Acting, Peptide-Based Cholecystokinin 1 Receptor Agonists. |
| Release_Year | 2019 |
| PMID | 30624060 |
| DOI | 10.1021/acs.jmedchem.8b01558 |