PPIRE09109

Target Protein Information
Protein_Name Mu-type opioid receptor
Protein_Sequence MDSSTGPGNTSDCSDPLAQASCSPAPGSWLNLSHVDGNQSDPCGLNRTGLGGNDSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRVRQNTREHPSTANTVDRTNHQLENLEAETAPLP
Organism_Source Rattus norvegicus
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names Oprm1
UniProt_ID P33535
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Gly-D-Tic-Cys-Tyr-D-Trp-Orn-Thr-Pen-Thr-NH2
Peptide_Sequence GXCYwXTXT
Peptide_Length 9
Peptide_SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)CNC(=O)CN)[C@@H](C)O)C(=O)O
Chemical_Modification X2=1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid; X6=ornithine; X8=penicillamine
Cyclization_Method Side chain-side chain cyclization; C3<->X8; disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 900.96
Aliphatic_Index 0.00000
Aromaticity 0.22222
Average_Rotatable_Bonds 2.66667
Charge_at_pH_7 -0.06484
Isoelectric_Point 5.91950
Number_of_Hydrogen_Bond_Acceptors 14
Number_of_Hydrogen_Bond_Donors 15
Topological_Polar_Surface_Area 372.60000
X_logP_energy -4.83400
Interaction Information
Affinity IC50=278.7 nM
Affinity_Assay radioligand competition binding assay
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Histidine N(tau)-cyclized macrocycles as a new genre of polo-like kinase 1 polo-box domain-binding inhibitors.
Release_Year 1991
PMID None
DOI 10.1021/ja00006a055