PPIRE03886
Target Protein Information
| Protein_Name | Calpain-1 catalytic subunit |
|---|---|
| Protein_Sequence | MAEEVITPVYCTGVSAQVQKLRAKELGLGRHENAIKYLGQDYEQLRAHCLQSGSLFRDEAFPPVPQSLGFKELGPNSSKTYGVKWKRPTELFSNPQFIVDGATRTDICQGALGDCWLLAAIASLTLNDTLLHRVVPHGQSFQNGYAGIFHFQLWQFGEWVDVVVDDLLPTKDGKLVFVHSAQGNEFWSALLEKAYAKVNGSYEALSGGSTSEGFEDFTGGVTEWYELRKAPSDLYSIILKALERGSLLGCSIDISSVLDMEAVTFKKLVKGHAYSVTGAKQVNYQGQMVNLIRMRNPWGEVEWTGAWSDGSSEWNGVDPYQRDQLRVRMEDGEFWMSFRDFLREFTRLEICNLTPDALKSQRVRNWNTTLYEGTWRRGSTAGGCRNYPATFWVNPQFKIRLEETDDPEDDYGGRESGCSFVLALMQKHRRRERRFGRDMETIGFAVYEVPPELVGQPVHLKRDFFLANASRARSEQFINLREVSTRFRLPPGEYVVVPSTFEPNKEGDFVLRFFSEKKAGTQELDDQVQAILPDEQVLSEEEIDENFKALFRQLAGEDMEISVRELRTILNRIISKHKDLRTKGFSLESCRSMVNLMDRDGNGKLGLVEFNILWNRIRNYLSIFRKFDLDKSGSMSAYEMRMAIESAGFKLNKKLFELIITRYSEPDLAVDFDNFVCCLVRLETMFRFFKTLDTDLDGVVTFDLFKWLQLTMFA |
| Organism_Source | Sus scrofa |
| Functional_Classification | cysteine proteases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | CAPN1 |
| UniProt_ID | P35750 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Z-Leu-Phe-H |
|---|---|
| Peptide_Sequence | LF |
| Peptide_Length | 2 |
| Peptide_SMILES | CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Benzyloxycarbonyl |
| C-terminal_Modification | aldehyde |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 278.35 |
|---|---|
| Aliphatic_Index | 195.00000 |
| Aromaticity | 0.50000 |
| Average_Rotatable_Bonds | 3.50000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 3 |
| Number_of_Hydrogen_Bond_Donors | 3 |
| Topological_Polar_Surface_Area | 92.42000 |
| X_logP_energy | 1.17190 |
Interaction Information
| Affinity | IC50=240 nM |
|---|---|
| Affinity_Assay | spectrofluorimetric method |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Studies on aromatic compounds: inhibition of calpain I by biphenyl derivatives and peptide-biphenyl hybrids. |
| Release_Year | 2004 |
| PMID | 15125927 |
| DOI | 10.1016/j.bmcl.2004.03.071 |