PPIRE07360
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 9 |
|---|---|
| Peptide_Sequence | YnGWXDF |
| Peptide_Length | 7 |
| Peptide_SMILES | NC(=O)C[C@H](NC(=O)[C@@H](N)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 | X5=norleucine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 857.88 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.42857 |
| Average_Rotatable_Bonds | 3.28571 |
| Charge_at_pH_7 | -1.00242 |
| Isoelectric_Point | 3.74999 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 11 |
| Number_of_Hydrogen_Bond_Donors | 12 |
| Topological_Polar_Surface_Area | 354.33000 |
| X_logP_energy | -2.16500 |
Interaction Information
| Affinity | Ki=9.6 nM |
|---|---|
| Affinity_Assay | radioligand binding assay |
| PDB_ID | None |
| Type | antagonist |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Structure-activity relationships of bifunctional peptides based on overlapping pharmacophores at opioid and cholecystokinin receptors. |
| Release_Year | 2006 |
| PMID | 16686530 |
| DOI | 10.1021/jm050921q |