PPIPT00378

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-m3
Peptide_Sequence TLDDWEMDMGD
Peptide_Length 11
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=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)NCC(=O)N[C@@H](CC(=O)O)C(=O)O
Chemical_Modification None
Cyclization_Method side chain-side chain cyclization; X5<->C11; other bonds
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1327.40
Aliphatic_Index 35.45455
Aromaticity 0.09091
Average_Rotatable_Bonds 3.90909
Charge_at_pH_7 -4.99845
Isoelectric_point 3.16791
Number_of_Hydrogen_Bond_Acceptors 20
Number_of_Hydrogen_Bond_Donors 19
Topological_Polar_Surface_Area 576.84000
X_logP_energy -4.70160
Interaction Information
Affinity KD=330 nM
Affinity_Assay ELISA
PDB_ID None
Type Antagonist
Structure
Reference Information
Document_Type Patent
Title CYCLIC PEPTIDE INHIBITORS OF HEDGEHOG PROTEINS
Release_Year 2019
Patent_ID US20190241615A1