PPIRE03734
Target Protein Information
| Protein_Name | Calpain-2 catalytic subunit |
|---|---|
| Protein_Sequence | MAGIAAKLAKDREAAEGLGSHDRAIKYLNQDYEALRNECLEAGTLFQDPSFPAIPSALGFKELGPYSSKTRGIEWKRPTEICADPQFIIGGATRTDICQGALGDCWLLAAIASLTLNEEILARVVPLNQSFQENYAGIFHFQFWQYGEWVEVVVDDRLPTKDGELLFVHSAEGSEFWSALLEKAYAKINGCYEALSGGATTEGFEDFTGGIAEWYELKKPPPNLFKIIQKALQKGSLLGCSIDITSAADSEAITFQKLVKGHAYSVTGAEEVESNGSLQKLIRIRNPWGEVEWTGRWNDNCPSWNTIDPEERERLTRRHEDGEFWMSFSDFLRHYSRLEICNLTPDTLTSDTYKKWKLTKMDGNWRRGSTAGGCRNYPNTFWMNPQYLIKLEEEDEDEEDGESGCTFLVGLIQKHRRRQRKMGEDMHTIGFGIYEVPEELSGQTNIHLSKNFFLTNRARERSDTFINLREVLNRFKLPPGEYILVPSTFEPNKDGDFCIRVFSEKKADYQAVDDEIEANLEEFDISEDDIDDGFRRLFAQLAGEDAEISAFELQTILRRVLAKRQDIKSDGFSIETCKIMVDMLDSDGSGKLGLKEFYILWTKIQKYQKIYREIDVDRSGTMNSYEMRKALEEAGFKMPCQLHQVIVARFADDQLIIDFDNFVRCLVRLETLFKIFKQLDPENTGTIELDLISWLCFSVL |
| Organism_Source | Homo sapiens |
| Functional_Classification | Enzyme |
| Cellular_Localization | Cytoplasm |
| Gene_Names | CAPN2 |
| UniProt_ID | P17655 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Compound 11 |
|---|---|
| Peptide_Sequence | LLL |
| Peptide_Length | 3 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | other |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 357.49 |
|---|---|
| Aliphatic_Index | 390.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.66667 |
| 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 | 1.50620 |
Interaction Information
| Affinity | IC50=361 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Novel Peptide-Heterocycle Hybrids: Synthesis and Preliminary Studies on Calpain Inhibition |
| Release_Year | 2002 |
| PMID | None |
| DOI | 10.1002/1615-4169(200209)344:8<855::aid-adsc855>3.0.co;2-1 |