PPIRE13276

Target Protein Information
Protein_Name B2 bradykinin receptor
Protein_Sequence MDTRSSLCPKTQAVVAVFWGPGCHLSTCIEMFNITTQALGSAHNGTFSEVNCPDTEWWSWLNAIQAPFLWVLFLLAALENIFVLSVFCLHKTNCTVAEIYLGNLAAADLILACGLPFWAITIANNFDWLFGEVLCRVVNTMIYMNLYSSICFLMLVSIDRYLALVKTMSMGRMRGVRWAKLYSLVIWSCTLLLSSPMLVFRTMKDYREEGHNVTACVIVYPSRSWEVFTNMLLNLVGFLLPLSIITFCTVRIMQVLRNNEMKKFKEVQTEKKATVLVLAVLGLFVLCWFPFQISTFLDTLLRLGVLSGCWNERAVDIVTQISSYVAYSNSCLNPLVYVIVGKRFRKKSREVYQAICRKGGCMGESVQMENSMGTLRTSISVDRQIHKLQDWAGNKQ
Organism_Source Rattus norvegicus
Functional_Classification G protein-coupled receptor
Cellular_Localization Plasma membrane
Gene_Names Bdkrb2
UniProt_ID P25023
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name Compound 50(CP-0364)
Peptide_Sequence rRPXGFCfLRXrCPXGPSPL
Peptide_Length 20
Peptide_SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O
Chemical_Modification X4=4-hydroxyproline; X11=4-hydroxyproline
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 2130.52
Aliphatic_Index 39.00000
Aromaticity 0.10000
Average_Rotatable_Bonds 3.10000
Charge_at_pH_7 3.87402
Isoelectric_Point 12.02344
Number_of_Hydrogen_Bond_Acceptors 28
Number_of_Hydrogen_Bond_Donors 32
Topological_Polar_Surface_Area 848.89000
X_logP_energy -9.72612
Interaction Information
Affinity pA2=8.3
Affinity_Assay Isothermal titration calorimetry
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Renin inhibitory pentols showing improved enteral bioavailability.
Release_Year 1994
PMID 1738148
DOI 10.1021/jm00081a019