PPIRE04140
Target Protein Information
| Protein_Name | Procathepsin L |
|---|---|
| Protein_Sequence | MNPTLILAAFCLGIASATLTFDHSLEAQWTKWKAMHNRLYGMNEEGWRRAVWEKNMKMIELHNQEYREGKHSFTMAMNAFGDMTSEEFRQVMNGFQNRKPRKGKVFQEPLFYEAPRSVDWREKGYVTPVKNQGQCGSCWAFSATGALEGQMFRKTGRLISLSEQNLVDCSGPQGNEGCNGGLMDYAFQYVQDNGGLDSEESYPYEATEESCKYNPKYSVANDTGFVDIPKQEKALMKAVATVGPISVAIDAGHESFLFYKEGIYFEPDCSSEDMDHGVLVVGYGFESTESDNNKYWLVKNSWGEEWGMGGYVKMAKDRRNHCGIASAASYPTV |
| Organism_Source | Homo sapiens |
| Functional_Classification | cysteine proteases |
| Cellular_Localization | Lysosome |
| Gene_Names | CTSL |
| UniProt_ID | P07711 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Compound 14 |
|---|---|
| Peptide_Sequence | CrW |
| Peptide_Length | 3 |
| Peptide_SMILES | N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | 4-Biphenylacetyl |
| C-terminal_Modification | N-(2-phenylethyl)amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 463.55 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.33333 |
| Average_Rotatable_Bonds | 4.00000 |
| Charge_at_pH_7 | 0.93601 |
| Isoelectric_Point | 8.54991 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 6 |
| Number_of_Hydrogen_Bond_Donors | 9 |
| Topological_Polar_Surface_Area | 199.21000 |
| X_logP_energy | -0.71503 |
Interaction Information
| Affinity | Ki=0.067 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | 1MHW |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Design of noncovalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides. |
| Release_Year | 2002 |
| PMID | 12431059 |
| DOI | 10.1021/jm020238t |