PPIRE00458
Target Protein Information
| Protein_Name | Cholecystokinin receptor type A |
|---|---|
| Protein_Sequence | MDVVDSLLVNGSNITPPCELGLENETLFCLDQPRPSKEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPNDVMQQSWHTFLLLILFLIPGIVMMVAYGLISLELYQGIKFEASQKKSAKERKPSTTSSGKYEDSDGCYLQKTRPPRKLELRQLSTGSSSRANRIRSNSSAANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTASAERRLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGARGEVGEEEEGGTTGASLSRFSYSHMSASVPPQ |
| Organism_Source | Homo sapiens |
| Functional_Classification | G protein-coupled receptor |
| Cellular_Localization | Plasma membrane |
| Gene_Names | CCKAR |
| UniProt_ID | P32238 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Compound 4 |
|---|---|
| Peptide_Sequence | XGPWLEEEEEAYGWMDF |
| Peptide_Length | 17 |
| Peptide_SMILES | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)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](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| Chemical_Modification | X1=Pyroglutamic Acid |
| 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 | 2045.16 |
|---|---|
| Aliphatic_Index | 28.82353 |
| Aromaticity | 0.23529 |
| Average_Rotatable_Bonds | 3.64706 |
| Charge_at_pH_7 | -5.99354 |
| Isoelectric_Point | 3.19471 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 26 |
| Number_of_Hydrogen_Bond_Donors | 26 |
| Topological_Polar_Surface_Area | 795.74000 |
| X_logP_energy | -3.18770 |
Interaction Information
| Affinity | Ki=77 nM |
|---|---|
| Affinity_Assay | Scintillation Proximity Assay (SPA) |
| PDB_ID | None |
| Type | Antagonist |
| 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 |