PPIRE10960

Target Protein Information
Protein_Name Somatostatin receptor type 1
Protein_Sequence MFPNGTASSPSSSPSPSPGSCGEGGGSRGPGAGAADGMEEPGRNASQNGTLSEGQGSAILISFIYSVVCLVGLCGNSMVIYVILRYAKMKTATNIYILNLAIADELLMLSVPFLVTSTLLRHWPFGALLCRLVLSVDAVNMFTSIYCLTVLSVDRYVAVVHPIKAARYRRPTVAKVVNLGVWVLSLLVILPIVVFSRTAANSDGTVACNMLMPEPAQRWLVGFVLYTFLMGFLLPVGAICLCYVLIIAKMRMVALKAGWQQRKRSERKITLMVMMVVMVFVICWMPFYVVQLVNVFAEQDDATVSQLSVILGYANSCANPILYGFLSDNFKRSFQRILCLSWMDNAAEEPVDYYATALKSRAYSVEDFQPENLESGGVFRNGTCTSRITTL
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names SSTR1
UniProt_ID P30872
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Compound 31
Peptide_Sequence YCKFEwXTXXSC
Peptide_Length 12
Peptide_SMILES C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)O
Chemical_Modification X7=4-(N-isopropyl)-aminomethylphenylalanine; X9=meta-iodotyrosine; X10=2,8-diaminooctanoic acid
Cyclization_Method Multi-point cyclization; C2<->C12; disulfide bond; E5<->X10; amide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1337.49
Aliphatic_Index 0.00000
Aromaticity 0.25000
Average_Rotatable_Bonds 3.33333
Charge_at_pH_7 -0.12534
Isoelectric_Point 6.13339
Number_of_Hydrogen_Bond_Acceptors 20
Number_of_Hydrogen_Bond_Donors 21
Topological_Polar_Surface_Area 523.22000
X_logP_energy -5.23320
Interaction Information
Affinity IC50=16 nM
Affinity_Assay receptor autoradiography
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Research Articles
Title Somatostatin receptor 1 selective analogues: 3. Dicyclic peptides.
Release_Year 2005
PMID 15658865
DOI 10.1021/jm049519m