PPIPT00283

Target Protein Information
Protein_Name Desert hedgehog protein
Protein_Sequence MALLTNLLPLCCLALLALPAQSCGPGRGPVGRRRYARKQLVPLLYKQFVPGVPERTLGASGPAEGRVARGSERFRDLVPNYNPDIIFKDEENSGADRLMTERCKERVNALAIAVMNMWPGVRLRVTEGWDEDGHHAQDSLHYEGRALDITTSDRDRNKYGLLARLAVEAGFDWVYYESRNHVHVSVKADNSLAVRAGGCFPGNATVRLWSGERKGLRELHRGDWVLAADASGRVVPTPVLLFLDRDLQRRASFVAVETEWPPRKLLLTPWHLVFAARGPAPAPGDFAPVFARRLRAGDSVLAPGGDALRPARVARVAREEAVGVFAPLTAHGTLLVNDVLASCYAVLESHQWAHRAFAPLRLLHALGALLPGGAVQPTGMHWYSRLLYRLAEELLG
Organism_Source Homo sapiens
Functional_Classification Morphogen
Cellular_Localization Extracellular
Gene_Names DHH
UniProt_ID O43323
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name HL2-m5
Peptide_Sequence TLSWXEAMDMXTD
Peptide_Length 13
Peptide_SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)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)N[C@@H](CCSC)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)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 1413.54
Aliphatic_Index 37.69231
Aromaticity 0.07692
Average_Rotatable_Bonds 3.46154
Charge_at_pH_7 -2.99935
Isoelectric_point 3.38003
Number_of_Hydrogen_Bond_Acceptors 22
Number_of_Hydrogen_Bond_Donors 21
Topological_Polar_Surface_Area 600.90000
X_logP_energy -6.65700
Interaction Information
Affinity KD=330 nM
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