PPIRE11264

Target Protein Information
Protein_Name Gastrin-releasing peptide receptor
Protein_Sequence MALNDCFLLNLEVDHFMHCNISSHSADLPVNDDWSHPGILYVIPAVYGVIILIGLIGNITLIKIFCTVKSMRNVPNLFISSLALGDLLLLITCAPVDASRYLADRWLFGRIGCKLIPFIQLTSVGVSVFTLTALSADRYKAIVRPMDIQASHALMKICLKAAFIWIISMLLAIPEAVFSDLHPFHEESTNQTFISCAPYPHSNELHPKIHSMASFLVFYVIPLSIISVYYYFIAKNLIQSAYNLPVEGNIHVKKQIESRKRLAKTVLVFVGLFAFCWLPNHVIYLYRSYHYSEVDTSMLHFVTSICARLLAFTNSCVNPFALYLLSKSFRKQFNTQLLCCQPGLIIRSHSTGRSTTCMTSLKSTNPSVATFSLINGNICHERYV
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names GRPR
UniProt_ID P30550
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name DOTA-AR
Peptide_Sequence XXXXfQWAVGHXM
Peptide_Length 13
Peptide_SMILES CSCC[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(C)C)C(=O)O
Chemical_Modification X1=ethylene glycol; X2=ethylene glycol; X3=ethylene glycol; X4=ethylene glycol; X12=statine
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Dota
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1260.39
Aliphatic_Index 30.00000
Aromaticity 0.15385
Average_Rotatable_Bonds 2.92308
Charge_at_pH_7 0.08889
Isoelectric_Point 7.55032
Number_of_Hydrogen_Bond_Acceptors 17
Number_of_Hydrogen_Bond_Donors 17
Topological_Polar_Surface_Area 500.08000
X_logP_energy -5.36870
Interaction Information
Affinity IC50=0.48 nM
Affinity_Assay competitive radioligand binding assay
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Dual-Modality Imaging of Prostate Cancer with a Fluorescent and Radiogallium-Labeled Gastrin-Releasing Peptide Receptor Antagonist.
Release_Year 2016
PMID 27516447
DOI 10.2967/jnumed.116.176099