PPIRE04190
Target Protein Information
| Protein_Name | Mitogen-activated protein kinase 10 |
|---|---|
| Protein_Sequence | MSLHFLYYCSEPTLDVKIAFCQGFDKQVDVSYIAKHYNMSKSKVDNQFYSVEVGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAVLDRNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDIWSVGCIMGEMVRHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRNYVENRPKYAGLTFPKLFPDSLFPADSEHNKLKASQARDLLSKMLVIDPAKRISVDDALQHPYINVWYDPAEVEAPPPQIYDKQLDEREHTIEEWKELIYKEVMNSEEKTKNGVVKGQPSPSGAAVNSSESLPPSSSVNDISSMSTDQTLASDTDSSLEASAGPLGCCR |
| Organism_Source | Homo sapiens |
| Functional_Classification | kinases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | MAPK10 |
| UniProt_ID | P53779 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | compound 8d |
|---|---|
| Peptide_Sequence | FXF |
| Peptide_Length | 3 |
| Peptide_SMILES | N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| Chemical_Modification | X2=hexahydropyrrolo[3,4-d]imidazole |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Boc |
| C-terminal_Modification | methyl ester |
| Amino_Acid_Distribution | |
|
|
|
Peptide Physicochemical
| Molecular_Weight | 369.42 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.66667 |
| Average_Rotatable_Bonds | 3.00000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 4 |
| Number_of_Hydrogen_Bond_Donors | 4 |
| Topological_Polar_Surface_Area | 121.52000 |
| X_logP_energy | 0.48470 |
Interaction Information
| Affinity | KD=692 uM |
|---|---|
| Affinity_Assay | Surface plasmon resonance |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | De Novo Design and Synthesis of a Gamma-Turn Peptidomimetic Scaffold and Its Application as JNK3 Allosteric Ligand. |
| Release_Year | 2014 |
| PMID | 25712695 |
| DOI | 10.1002/asia.201403417 |