PPIRE10448
Target Protein Information
| Protein_Name | None |
|---|---|
| Protein_Sequence | LVSIRVGGQIKEALLDTGADDTVLEEVNLPGKWKPKMIGGIGGFIKVRQYDQIPIEICGKKAIGTVLVGPTPINIIGRNMLTQLGCTLNFPISPIETVPVKLKPGMDGPK |
| Organism_Source | Human immunodeficiency virus type 1 |
| Functional_Classification | aspartic proteases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | pol |
| UniProt_ID | M1KCG9 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | compound 18 |
|---|---|
| Peptide_Sequence | XAVF |
| Peptide_Length | 4 |
| Peptide_SMILES | CC(C)[C@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| Chemical_Modification | X1=2-O-benzyloxy-5-hydroxy-4-oxahexacyclo[5.4.1.02,6.03,10.05,9.08,11]dodecane |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 392.46 |
|---|---|
| Aliphatic_Index | 97.50000 |
| Aromaticity | 0.25000 |
| Average_Rotatable_Bonds | 2.50000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 5 |
| Number_of_Hydrogen_Bond_Donors | 5 |
| Topological_Polar_Surface_Area | 150.62000 |
| X_logP_energy | -0.59730 |
Interaction Information
| Affinity | IC50=60 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Pentacycloundecane derived hydroxy acid peptides: a new class of irreversible non-scissile ether bridged type isoster as potential HIV-1 wild type C-SA protease inhibitors. |
| Release_Year | 2012 |
| PMID | 21982718 |
| DOI | 10.1016/j.bioorg.2011.08.002 |