PPIRE08107
Target Protein Information
| Protein_Name | TYMS opposite strand protein |
|---|---|
| Protein_Sequence | MTPASGATASLGRLRARPRSRWDAAYLPAVAAVCVARASHVPNGTLRFGVCKARRTMRPLPRRIEVRTKRGPQRPAAPERSPQPRLPPSRHPSRRGPRRHLSGCSAPACRIPTGCRCPCGRPS |
| Organism_Source | Homo sapiens |
| Functional_Classification | methyltransferases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | TYMSOS |
| UniProt_ID | Q8TAI1 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | peptide 10 |
|---|---|
| Peptide_Sequence | CSPQLYQC |
| Peptide_Length | 8 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | Side chain-side chain cyclization; C1<->C8; disulfide bond |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 941.08 |
|---|---|
| Aliphatic_Index | 48.75000 |
| Aromaticity | 0.12500 |
| Average_Rotatable_Bonds | 3.37500 |
| Charge_at_pH_7 | -0.12682 |
| Isoelectric_Point | 5.82405 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 15 |
| Number_of_Hydrogen_Bond_Donors | 14 |
| Topological_Polar_Surface_Area | 384.87000 |
| X_logP_energy | -4.32460 |
Interaction Information
| Affinity | IC50=474 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Cyclic Peptides Acting as Allosteric Inhibitors of Human Thymidylate Synthase and Cancer Cell Growth. |
| Release_Year | 2019 |
| PMID | 31561530 |
| DOI | 10.3390/molecules24193493 |