PPIRE05884
Target Protein Information
| Protein_Name | Neutrophil elastase |
|---|---|
| Protein_Sequence | MTLGRRLACLFLACVLPALLLGGTALASEIVGGRRARPHAWPFMVSLQLRGGHFCGATLIAPNFVMSAAHCVANVNVRAVRVVLGAHNLSRREPTRQVFAVQRIFENGYDPVNLLNDIVILQLNGSATINANVQVAQLPAQGRRLGNGVQCLAMGWGLLGRNRGIASVLQELNVTVVTSLCRRSNVCTLVRGRQAGVCFGDSGSPLVCNGLIHGIASFVRGGCASGLYPDAFAPVAQFVNWIDSIIQRSEDNPCPHPRDPDPASRTH |
| Organism_Source | Homo sapiens |
| Functional_Classification | serine proteases |
| Cellular_Localization | Extracellular |
| Gene_Names | ELANE |
| UniProt_ID | P08246 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | 24b |
|---|---|
| Peptide_Sequence | VXXKG |
| Peptide_Length | 5 |
| Peptide_SMILES | CC(C)[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O |
| Chemical_Modification | X2=N-(2,3-dihydro-1H-inden-2-yl)glycine; X3=a,a-difluoromethylene ketone derivative of L-valine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | P-[P-Cl(C6H4)So2Nhco](C6H4)Co |
| C-terminal_Modification | methyl ester |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 416.48 |
|---|---|
| Aliphatic_Index | 58.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.80000 |
| Charge_at_pH_7 | 0.99769 |
| Isoelectric_Point | 9.70000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 7 |
| Number_of_Hydrogen_Bond_Donors | 7 |
| Topological_Polar_Surface_Area | 205.74000 |
| X_logP_energy | -2.98330 |
Interaction Information
| Affinity | IC50=0.057 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Fluorocyclopropyl quinolones. 1. Synthesis and structure-activity relationships of 1-(2-fluorocyclopropyl)-3-pyridonecarboxylic acid antibacterial agents. |
| Release_Year | 1992 |
| PMID | 8230135 |
| DOI | 10.1021/jm00074a027 |