PPIRE03714

Target Protein Information
Protein_Name Matrilysin
Protein_Sequence MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK
Organism_Source Homo sapiens
Functional_Classification Enzyme
Cellular_Localization Extracellular
Gene_Names MMP7
UniProt_ID P09237
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name D 20
Peptide_Sequence ysXrytvfvavyvsdc
Peptide_Length 16
Peptide_SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)O)C(C)C
Chemical_Modification X3=(1R-2R)-2-ACHC
Cyclization_Method D1<->C16,side chain cyclization, thioether bond
Linear/Cyclic Cyclic
N-terminal_Modification Other
C-terminal_Modification amide
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1829.06
Aliphatic_Index 78.75000
Aromaticity 0.25000
Average_Rotatable_Bonds 3.31250
Charge_at_pH_7 -0.06610
Isoelectric_Point 6.15216
Number_of_Hydrogen_Bond_Acceptors 26
Number_of_Hydrogen_Bond_Donors 28
Topological_Polar_Surface_Area 720.40000
X_logP_energy -5.93363
Interaction Information
Affinity IC50=45 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Mirror-Image Random Nonstandard Peptides Integrated Discovery (MI-RaPID)Technology Yields Highly Stable and Selective Macrocyclic Peptide Inhibitors for Matrix Metallopeptidase 7.
Release_Year 2025
PMID 39215490
DOI 10.1002/anie.202414256