PPIRE00480

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 26
Peptide_Sequence XXGWXXX
Peptide_Length 7
Peptide_SMILES NCC(=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=Norleucine, X5=Norleucine, X6=N-methyl-D-aspartic acid, X7=N-methylphenylalanine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification C18 Dicarboxylic Acid
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 546.54
Aliphatic_Index 0.00000
Aromaticity 0.14286
Average_Rotatable_Bonds 2.14286
Charge_at_pH_7 -0.00202
Isoelectric_Point 6.10000
Number_of_Hydrogen_Bond_Acceptors 8
Number_of_Hydrogen_Bond_Donors 9
Topological_Polar_Surface_Area 253.71000
X_logP_energy -4.18050
Interaction Information
Affinity KD=321 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