PPIRE00473
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 19 |
|---|---|
| Peptide_Sequence | XXKXDXXGWXXX |
| Peptide_Length | 12 |
| Peptide_SMILES | NCCCC[C@H](NC(=O)CNC(=O)CN)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)NCC(=O)O |
| Chemical_Modification | X1=Gamma-Glutamic Acid, X2=(Oligoethylene Glycol)2, X4=Oligoethylene Glycol, X6=4-Sulfomethylphenylalanine, X7=Norleucine, X7=Norleucine, X10=Norleucine, X11=N-methyl-D-aspartic acid, X12=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 | 960.96 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.08333 |
| Average_Rotatable_Bonds | 2.58333 |
| Charge_at_pH_7 | -0.00186 |
| Isoelectric_Point | 6.33737 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 15 |
| Number_of_Hydrogen_Bond_Donors | 16 |
| Topological_Polar_Surface_Area | 462.53000 |
| X_logP_energy | -8.25860 |
Interaction Information
| Affinity | KD=112 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 |