PPIRE00485

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 31
Peptide_Sequence XDXKXGWXXX
Peptide_Length 10
Peptide_SMILES NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=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 X2=Sulfotyrosine, X2=Oligoethylene Glycol, X3=Lys(C18d-gammaGlu-(OEG)2); C18d=C18 Dicarboxylic Acid; gammaGlu=Gamma-Glutamic Acid; (OEG)2)=(Oligoethylene Glycol)2, X5=Norleucine, X6=N-methyl-D-aspartic acid, X7=N-methylphenylalanine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Acetyl
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 846.85
Aliphatic_Index 0.00000
Aromaticity 0.10000
Average_Rotatable_Bonds 2.70000
Charge_at_pH_7 -0.00186
Isoelectric_Point 6.33737
Number_of_Hydrogen_Bond_Acceptors 13
Number_of_Hydrogen_Bond_Donors 14
Topological_Polar_Surface_Area 404.33000
X_logP_energy -6.49100
Interaction Information
Affinity KD=94 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