PPIRE00488

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 34
Peptide_Sequence XXDXXKWXDF
Peptide_Length 10
Peptide_SMILES NCCCC[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CN)C(=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 X1=Gamma-Glutamic Acid, X2=(Oligoethylene Glycol)2, X4=Sulfotyrosine, X5=Norleucine, X8=Norleucine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification C18 Dicarboxylic Acid
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 995.02
Aliphatic_Index 0.00000
Aromaticity 0.20000
Average_Rotatable_Bonds 3.10000
Charge_at_pH_7 -1.00142
Isoelectric_Point 4.10925
Number_of_Hydrogen_Bond_Acceptors 14
Number_of_Hydrogen_Bond_Donors 15
Topological_Polar_Surface_Area 441.63000
X_logP_energy -5.03640
Interaction Information
Affinity KD=236 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