PPIRE19251

Target Protein Information
Protein_Name Urotensin-2 receptor
Protein_Sequence MALTPESPSSFPGLAATGSSVPEPPGGPNATLNSSWASPTEPSSLEDLVATGTIGTLLSAMGVVGVVGNAYTLVVTCRSLRAVASMYVYVVNLALADLLYLLSIPFIVATYVTKEWHFGDVGCRVLFGLDFLTMHASIFTLTVMSSERYAAVLRPLDTVQRPKGYRKLLALGTWLLALLLTLPVMLAMRLVRRGPKSLCLPAWGPRAHRAYLTLLFATSIAGPGLLIGLLYARLARAYRRSQRASFKRARRPGARALRLVLGIVLLFWACFLPFWLWQLLAQYHQAPLAPRTARIVNYLTTCLTYGNSCANPFLYTLLTRNYRDHLRGRVRGPGSGGGRGPVPSLQPRARFQRCSGRSLSSCSPQPTDSLVLAPAAPARPAPEGPRAPA
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names UTS2R
UniProt_ID Q9UKP6
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name compound 2
Peptide_Sequence AcXFwXYCV
Peptide_Length 9
Peptide_SMILES CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](C)N)C(=O)O
Chemical_Modification X2=penicillamine; w4=D-tryptophan; X5=ornithine
Cyclization_Method Side chain-side chain cyclization; X2<-->C7; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1005.17
Aliphatic_Index 43.33333
Aromaticity 0.33333
Average_Rotatable_Bonds 2.88889
Charge_at_pH_7 -0.12682
Isoelectric_Point 5.82405
Hydrogen_Bond_Acceptors 13
Hydrogen_Bond_Donors 14
Topological_Polar_Surface_Area 332.14000
X_logP_energy -1.01000
Interaction Information
Affinity Ki=1.66 nM
Affinity_Assay Radioligand binding assay
PDB_ID None
Type Antagonist
Structure
Reference Information
Document_Type Research Articles
Title New Insight into the Binding Mode of Peptide Ligands at Urotensin-II Receptor: Structure-Activity Relationships Study on P5U and Urantide
Release_Year 2009
PMID 19432421
DOI 10.1021/jm900148c