PPIPT00279

Target Protein Information
Protein_Name Sonic hedgehog protein
Protein_Sequence MLLLARCLLLVLVSSLLVCSGLACGPGRGFGKRRHPKKLTPLAYKQFIPNVAEKTLGASGRYEGKISRNSERFKELTPNYNPDIIFKDEENTGADRLMTQRCKDKLNALAISVMNQWPGVKLRVTEGWDEDGHHSEESLHYEGRAVDITTSDRDRSKYGMLARLAVEAGFDWVYYESKAHIHCSVKAENSVAAKSGGCFPGSATVHLEQGGTKLVKDLSPGDRVLAADDQGRLLYSDFLTFLDRDDGAKKVFYVIETREPRERLLLTAAHLLFVAPHNDSATGEPEASSGSGPPSGGALGPRALFASRVRPGQRVYVVAERDGDRRLLPAAVHSVTLSEEAAGAYAPLTAQGTILINRVLASCYAVIEEHSWAHRAFAPFRLAHALLAALAPARTDRGGDSGGGDRGGGGGRVALTAPGAADAPGAGATAGIHWYSQLLYQIGTWLLDSEALHPLGMAVKSS
Organism_Source Homo sapiens
Functional_Classification Morphogen
Cellular_Localization Extracellular
Gene_Names SHH
UniProt_ID Q15465
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name HL2-m1
Peptide_Sequence TLDDXEEMDGXSD
Peptide_Length 13
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)O
Chemical_Modification X5=O2beY; X11=Cys; thioether linkage
Cyclization_Method Side chain-side chain cyclization; X5<->X11; other bonds
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1340.29
Aliphatic_Index 30.00000
Aromaticity 0.00000
Average_Rotatable_Bonds 3.53846
Charge_at_pH_7 -5.99668
Isoelectric_point 3.11605
Number_of_Hydrogen_Bond_Acceptors 23
Number_of_Hydrogen_Bond_Donors 22
Topological_Polar_Surface_Area 676.78000
X_logP_energy -10.08920
Interaction Information
Affinity KD=3.6 uM
Affinity_Assay colorimetric immunoassay
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Patent
Title CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS
Release_Year 2021
Patent_ID US20210115087A1