PPIRE03781
Target Protein Information
| Protein_Name | Prostaglandin G/H synthase 2 |
|---|---|
| Protein_Sequence | MLARALLLCAAVVCGAANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPDTVHYILTHFKGVWNIVNKISFLRNMIMRYVLTSRSHLIESPPTYNVHYSYKSWEAFSNLSYYTRALPPVPDDCPTPMGVKGRKELPDSKEVVKKVLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTDIERGPAFTKGKNHGVDLSHVYGESLERQHNRRLFKDGKMKYQMINGEMYPPTVKDTQVEMIYPPHIPEHLKFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIAAEFNTLYHWHPLLPDVFQIDGQEYNYQQFIYNNSVLLEHGVTQFVESFTRQIAGRVAGRRNLPAAVEKVSKASLDQSREMKYQSFNEYRKRFLLKPYESFEELTGEKEMAAELEALYGDIDAMELYPALLVEKPAPDAIFGETMVEAGAPFSLKGLMGNPICSPEYWKPSTFGGEVGFKIINTASIQSLICSNVKGCPFTSFSVQDAHLTKTVTINASSSHSGLDDINPTVLLKERSTEL |
| Organism_Source | Ovis aries |
| Functional_Classification | cyclooxygenases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | PTGS2 |
| UniProt_ID | P79208 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | p-N3Bz-Phe-Asp |
|---|---|
| Peptide_Sequence | FD |
| Peptide_Length | 2 |
| Peptide_SMILES | N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | 4-Azidobenzoyl |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 280.28 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.50000 |
| Average_Rotatable_Bonds | 3.50000 |
| Charge_at_pH_7 | -1.00157 |
| Isoelectric_Point | 3.74999 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 4 |
| Number_of_Hydrogen_Bond_Donors | 4 |
| Topological_Polar_Surface_Area | 129.72000 |
| X_logP_energy | -0.39950 |
Interaction Information
| Affinity | IC50=0.06 mM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Design, Synthesis, and Biological Evaluation of New Peptide Analogues as Selective COX-2 Inhibitors. |
| Release_Year | 2017 |
| PMID | 28872704 |
| DOI | 10.1002/ardp.201700158 |