PPIPT00098
Target Protein Information
| Protein_Name | Envelope glycoprotein gp160 |
|---|---|
| Protein_Sequence | MRVKGIRKNYQHLWRGGTLLLGMLMICSAVEKLWVTVYYGVPVWKEATTTLFCASDAKAYDTEVHNVWATHACVPTDPNPQEIVLENVTENFNMWKNNMVEQMHEDIISLWDQSLKPCVKLTPLCVTLHCTNLENATNTTSSNWKEMNRGEIKNCSFNVTTSIGNKMQKEYALFYKLDVVPIDNDNTSYNLINCNTSVITQACPKVSFEPIPIHYCAPAGFAILKCNDKKFNGSGPCINVSTVQCTHGIRPVVSTQLLLNGSLAEEGVVIRSENFTDNVKTIVVQLKESVEINCTRPNNNTRKSIPIGPGKAFYATGDIIGDIRQAHCNISGEKWNNTLKQIVTKLQAQFENKTIVFKQSSGGDPEIVMHSFNCGGEFFYCNSTQLFNSTWNNTIGPNNTNGTITLPCRIKQIINRWQEVGKAMYAPPIRGQIRCSSNITGLLLTRDGGREVSNTTEIFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTKAKRRVVQREKRAVTLGAVFLGFLGAAGSTMGAASLTLTVQARQLLSGIVQQQNNLLRAIEAQQHLLQLTVWGIKQLQARVLAVERYLKDQQLLGIWGCSGKLICTTAVPWNASWSNKSLDQIWNNMTWMEWEREIGNYTNLIYTLIEESQNQQEKNEQELLELDKWASLWNWFDISKWLWYIKIFIMIVGGLVGLRIVFTVLSIVNRVRQGYSPLSFQTRFPAPRGLDRPEGIEEEGGERDRDRSRPLVHGLLALIWDDLRSLCLFSYHRLRDLILIAARIVELLGRRGWEALKYWGNLLQYWIQELKNSAVSLFGAIAIAVAEGTDRIIEVAQRIGRAFLHIPRRIRQGLERTLL |
| Organism_Source | Simian-Human immunodeficiency virus 1 |
| Functional_Classification | Viral envelope glycoprotein (Class I fusion protein) |
| Cellular_Localization | Extracellular |
| Gene_Names | env |
| UniProt_ID | A0A0B4Q642 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | UM24 |
|---|---|
| Peptide_Sequence | CitNNIPWS |
| Peptide_Length | 9 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC)[C@@H](C)O |
| Chemical_Modification | X5=4-ferrocenyl-1H-1,2,3-triazol-1-yl-proline |
| Cyclization_Method | None |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1047.19 |
|---|---|
| Aliphatic_Index | 86.66667 |
| Aromaticity | 0.11111 |
| Average_Rotatable_Bonds | 3.22222 |
| Charge_at_pH_7 | -0.06399 |
| Isoelectric_point | 5.92254 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 15 |
| Number_of_Hydrogen_Bond_Donors | 15 |
| Topological_Polar_Surface_Area | 429.76000 |
| X_logP_energy | -4.34720 |
Interaction Information
| Affinity | KD=4.1 nM |
|---|---|
| Affinity_Assay | Surface Plasmon Resonance |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Patent |
|---|---|
| Title | ACTIVE CORES OF PEPTIDE TRIAZOLE HIV-1 ENTRY INHIBITORS |
| Release_Year | 2013 |
| Patent_ID | US20130274178A1 |