PPIPT01347

Target Protein Information
Protein_Name Calcitonin
Protein_Sequence MGFQKFSPFLALSILVLLQAGSLHAAPFRSALESSPADPATLSEDEARLLLAALVQDYVQMKASELEQEQEREGSSLDSPRSKRCGNLSTCMLGTYTQDFNKFHTFPQTAIGVGAPGKKRDMSSDLERDHRPHVSMPQNAN
Organism_Source Homo sapiens
Functional_Classification Hormone
Cellular_Localization Extracellular
Gene_Names CALCA
UniProt_ID P01258
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name CGRP
Peptide_Sequence ACDTATCVTHRLAGLLSRSGGVVKNNFVPTNVGSKAF
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(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[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(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)C(C)C)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 3792.35
Aliphatic_Index 81.62162
Aromaticity 0.05405
Average_Rotatable_Bonds 3.29730
Charge_at_pH_7 2.96479
Isoelectric_point 9.75815
Number_of_Hydrogen_Bond_Acceptors 56
Number_of_Hydrogen_Bond_Donors 59
Topological_Polar_Surface_Area 1614.83000
X_logP_energy -21.92286
Interaction Information
Affinity KD=1.6 pM
Affinity_Assay Surface Plasmon Resonance
PDB_ID None
Type Agonist
Structure
Reference Information
Document_Type Patent
Title CALCITONIN GENE-RELATED PEPTIDE (CGRP) ANTAGONIST ANTIBODIES
Release_Year 2020
Patent_ID US20200407433A1