PPIRE00531
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 27 |
|---|---|
| Peptide_Sequence | XXKXGWXXX |
| Peptide_Length | 9 |
| Peptide_SMILES | NCCCC[C@H](NC(=O)CNC(=O)CN)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)NCC(=O)O |
| Chemical_Modification | X1=p-Hydroxyphenylalanine, X2=Lys(C18d-gammaGlu-(OEG)2); C18d=C18 Dicarboxylic Acid; gammaGlu=Gamma-Glutamic Acid; (OEG)2)=(Oligoethylene Glycol)2, X6=N-methyl-D-aspartic acid, X7=N-methylphenylalanine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 731.77 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.11111 |
| Average_Rotatable_Bonds | 2.55556 |
| Charge_at_pH_7 | 0.99769 |
| Isoelectric_Point | 9.70000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 12 |
| Topological_Polar_Surface_Area | 337.93000 |
| X_logP_energy | -5.45050 |
Interaction Information
| Affinity | IC50=27.8 nM |
|---|---|
| Affinity_Assay | Scintillation Proximity Assay (SPA) |
| PDB_ID | None |
| Type | Affinity ligand |
| 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 |