PPIRE02346
Target Protein Information
| Protein_Name | Dihydrofolate reductase |
|---|---|
| Protein_Sequence | MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND |
| Organism_Source | Homo sapiens |
| Functional_Classification | Enzyme |
| Cellular_Localization | Cytoplasm |
| Gene_Names | DHFR |
| UniProt_ID | P00374 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Peptide 2 |
|---|---|
| Peptide_Sequence | FMYL |
| Peptide_Length | 4 |
| Peptide_SMILES | CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O |
| Chemical_Modification | None |
| 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 | 572.72 |
|---|---|
| Aliphatic_Index | 97.50000 |
| Aromaticity | 0.50000 |
| Average_Rotatable_Bonds | 4.00000 |
| Charge_at_pH_7 | -0.00287 |
| Isoelectric_Point | 6.09320 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 7 |
| Number_of_Hydrogen_Bond_Donors | 6 |
| Topological_Polar_Surface_Area | 170.85000 |
| X_logP_energy | 1.84290 |
Interaction Information
| Affinity | KD=0.7 uM |
|---|---|
| Affinity_Assay | Isothermal titration calorimetry |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Optimized peptide based inhibitors targeting the dihydrofolate reductase pathway in cancer. |
| Release_Year | 2018 |
| PMID | 29453377 |
| DOI | 10.1038/s41598-018-21435-5 |