PPIPT01223

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 CGRP (8-37)
Peptide_Sequence VTHRLAGLLSRSGGWKNNFVPTNVGSKAF
Peptide_Length 29
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](N)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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=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](CCCCN)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
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Cyclic
N-terminal_Modification Free
C-terminal_Modification Amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 3114.56
Aliphatic_Index 77.24138
Aromaticity 0.10345
Average_Rotatable_Bonds 3.44828
Charge_at_pH_7 4.08830
Isoelectric_point 12.53175
Number_of_Hydrogen_Bond_Acceptors 43
Number_of_Hydrogen_Bond_Donors 47
Topological_Polar_Surface_Area 1320.06000
X_logP_energy -15.52496
Interaction Information
Affinity Ki=57.5 uM
Affinity_Assay Fluorescence Polarization
PDB_ID None
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