PPIRE02065

Target Protein Information
Protein_Name Calcitonin gene-related peptide type 1 receptor
Protein_Sequence MEKKCTLYFLVLLPFFMILVTAELEESPEDSIQLGVTRNKIMTAQYECYQKIMQDPIQQAEGVYCNRTWDGWLCWNDVAAGTESMQLCPDYFQDFDPSEKVTKICDQDGNWFRHPASNRTWTNYTQCNVNTHEKVKTALNLFYLTIIGHGLSIASLLISLGIFFYFKSLSCQRITLHKNLFFSFVCNSVVTIIHLTAVANNQALVATNPVSCKVSQFIHLYLMGCNYFWMLCEGIYLHTLIVVAVFAEKQHLMWYYFLGWGFPLIPACIHAIARSLYYNDNCWISSDTHLLYIIHGPICAALLVNLFFLLNIVRVLITKLKVTHQAESNLYMKAVRATLILVPLLGIEFVLIPWRPEGKIAEEVYDYIMHILMHFQGLLVSTIFCFFNGEVQAILRRNWNQYKIQFGNSFSNSEALRSASYTVSTISDGPGYSHDCPSEHLNGKSIHDIENVLLKPENLYN
Organism_Source Homo sapiens
Functional_Classification Receptor
Cellular_Localization Plasma membrane
Gene_Names CALCRL
UniProt_ID Q16602
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name D-a-CGRP
Peptide_Sequence scntatcvthrlagllsrsggvvkdnfvptnvgseaf
Peptide_Length 37
Peptide_SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C
Chemical_Modification None
Cyclization_Method C2<->C7;side chain cyclization;disulfide bond
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification other
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3809.29
Aliphatic_Index 78.91892
Aromaticity 0.05405
Average_Rotatable_Bonds 3.29730
Charge_at_pH_7 0.96686
Isoelectric_Point 8.24125
Number_of_Hydrogen_Bond_Acceptors 57
Number_of_Hydrogen_Bond_Donors 60
Topological_Polar_Surface_Area 1646.34000
X_logP_energy -23.21466
Interaction Information
Affinity IC50=3 nM
Affinity_Assay ELISA
PDB_ID None
Type antagonist
Structure
Reference Information
Document_Type Research Articles
Title Short bioactive Spiegelmers to migraine-associated calcitonin gene-related peptide rapidly identified by a novel approach: tailored-SELEX.
Release_Year 2003
PMID 14576330
DOI 10.1093/nar/gng130