PPIRE00675
Target Protein Information
| Protein_Name | Procathepsin L |
|---|---|
| Protein_Sequence | MNPTLILAAFCLGIASATLTFDHSLEAQWTKWKAMHNRLYGMNEEGWRRAVWEKNMKMIELHNQEYREGKHSFTMAMNAFGDMTSEEFRQVMNGFQNRKPRKGKVFQEPLFYEAPRSVDWREKGYVTPVKNQGQCGSCWAFSATGALEGQMFRKTGRLISLSEQNLVDCSGPQGNEGCNGGLMDYAFQYVQDNGGLDSEESYPYEATEESCKYNPKYSVANDTGFVDIPKQEKALMKAVATVGPISVAIDAGHESFLFYKEGIYFEPDCSSEDMDHGVLVVGYGFESTESDNNKYWLVKNSWGEEWGMGGYVKMAKDRRNHCGIASAASYPTV |
| Organism_Source | Homo sapiens |
| Functional_Classification | Protease |
| Cellular_Localization | Lysosome |
| Gene_Names | CTSL |
| UniProt_ID | P07711 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | RS1A |
|---|---|
| Peptide_Sequence | HLFXS |
| Peptide_Length | 5 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)O |
| Chemical_Modification | X4=The amide bond (C=O)of R is replaced by a sulfonamide bond (C=S) |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 559.62 |
|---|---|
| Aliphatic_Index | 78.00000 |
| Aromaticity | 0.20000 |
| Average_Rotatable_Bonds | 3.20000 |
| Charge_at_pH_7 | 0.08889 |
| Isoelectric_Point | 7.55032 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 8 |
| Number_of_Hydrogen_Bond_Donors | 8 |
| Topological_Polar_Surface_Area | 228.63000 |
| X_logP_energy | -1.78420 |
Interaction Information
| Affinity | Ki=50 uM |
|---|---|
| Affinity_Assay | Fluorescence-based Assay |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Rational design of thioamide peptides as selective inhibitors of cysteine protease cathepsin L. |
| Release_Year | 2021 |
| PMID | 35355937 |
| DOI | 10.1039/d1sc00785h |