PPIRE02460
Target Protein Information
| Protein_Name | Cathepsin D |
|---|---|
| Protein_Sequence | MQPSSLLPLALCLLAAPASALVRIPLHKFTSIRRTMSEVGGSVEDLIAKGPVSKYSQAVPAVTEGPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLDIACWIHHKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQSASSASALGGVKVERQVFGEATKQPGITFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDQNIFSFYLSRDPDAQPGGELMLGGTDSKYYKGSLSYLNVTRKAYWQVHLDQVEVASGLTLCKEGCEAIVDTGTSLMVGPVDEVRELQKAIGAVPLIQGEYMIPCEKVSTLPAITLKLGGKGYKLSPEDYTLKVSQAGKTLCLSGFMGMDIPPPSGPLWILGDVFIGRYYTVFDRDNNRVGFAEAARL |
| Organism_Source | Homo sapiens |
| Functional_Classification | Enzyme |
| Cellular_Localization | Lysosome |
| Gene_Names | CTSD |
| UniProt_ID | P07339 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | 7b |
|---|---|
| Peptide_Sequence | VFX |
| Peptide_Length | 3 |
| Peptide_SMILES | CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O |
| Chemical_Modification | X3=4-phenyl-1-N-piperidine-2(S)-butanol |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | other |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 321.38 |
|---|---|
| Aliphatic_Index | 96.66667 |
| Aromaticity | 0.33333 |
| Average_Rotatable_Bonds | 2.66667 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 4 |
| Number_of_Hydrogen_Bond_Donors | 4 |
| Topological_Polar_Surface_Area | 121.52000 |
| X_logP_energy | -0.10200 |
Interaction Information
| Affinity | IC50=28.9 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Synthesis and cathepsin D inhibition of peptide-hydroxyethyl amine isosteres with cyclic tertiary amines |
| Release_Year | 2003 |
| PMID | None |
| DOI | 10.1023/b:lips.0000032367.14994.e9 |