PPIPT01226

Target Protein Information
Protein_Name Calcitonin gene-related peptide type 1 receptor
Protein_Sequence MEKKCTLYFLVLLPFFMILVTAELEESPEDSIQLGVTRNKIMTAQYECYQKIMQDPIQQAEGVYCNRTWDGWLCWNDVAAGTESMQLCPDYFQDFDPSEKVTKICDQDGNWFRHPASNRTWTNYTQCNVNTHEKVKTALNLFYLTIIGHGLSIASLLISLGIFFYFKSLSCQRITLHKNLFFSFVCNSVVTIIHLTAVANNQALVATNPVSCKVSQFIHLYLMGCNYFWMLCEGIYLHTLIVVAVFAEKQHLMWYYFLGWGFPLIPACIHAIARSLYYNDNCWISSDTHLLYIIHGPICAALLVNLFFLLNIVRVLITKLKVTHQAESNLYMKAVRATLILVPLLGIEFVLIPWRPEGKIAEEVYDYIMHILMHFQGLLVSTIFCFFNGEVQAILRRNWNQYKIQFGNSFSNSEALRSASYTVSTISDGPGYSHDCPSEHLNGKSIHDIENVLLKPENLYN
Organism_Source Homo sapiens
Functional_Classification G protein-coupled receptor
Cellular_Localization Extracellular
Gene_Names CALCRL
UniProt_ID Q16602
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name AM (37-52) [S45W/Q50W]
Peptide_Sequence DKDNVAPRWKISPWGY
Peptide_Length 16
Peptide_SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1932.17
Aliphatic_Index 48.75000
Aromaticity 0.18750
Average_Rotatable_Bonds 3.56250
Charge_at_pH_7 0.99743
Isoelectric_point 9.25526
Number_of_Hydrogen_Bond_Acceptors 25
Number_of_Hydrogen_Bond_Donors 27
Topological_Polar_Surface_Area 785.91000
X_logP_energy -5.22923
Interaction Information
Affinity Ki=44.7 nM
Affinity_Assay Fluorescence Polarization
PDB_ID 4RWG
Type Antagonist
Structure
Reference Information
Document_Type Patent
Title VARIANTS OF ADRENOMEDULLIN AND CALCITONIN GENE-RELATED PEPTIDE AND METHODS OF USE
Release_Year 2020
Patent_ID US20200024320A1