PPIRE05612
Target Protein Information
| Protein_Name | Tyrosine-protein phosphatase non-receptor type 11 |
|---|---|
| Protein_Sequence | MTSRRWFHPNITGVEAENLLLTRGVDGSFLARPSKSNPGDFTLSVRRNGAVTHIKIQNTGDYYDLYGGEKFATLAELVQYYMEHHGQLKEKNGDVIELKYPLNCADPTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDDKGESNDGKSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPLNTTRINAAEIESRVRELSKLAETTDKVKQGFWEEFETLQQQECKLLYSRKEGQRQENKNKNRYKNILPFDHTRVVLHDGDPNEPVSDYINANIIMPEFETKCNNSKPKKSYIATQGCLQNTVNDFWRMVFQENSRVIVMTTKEVERGKSKCVKYWPDEYALKEYGVMRVRNVKESAAHDYTLRELKLSKVGQGNTERTVWQYHFRTWPDHGVPSDPGGVLDFLEEVHHKQESIMDAGPVVVHCSAGIGRTGTFIVIDILIDIIREKGVDCDIDVPKTIQMVRSQRSGMVQTEAQYRFIYMAVQHYIETLQRRIEEEQKSKRKGHEYTNIKYSLADQTSGDQSPLPPCTPTPPCAEMREDSARVYENVGLMQQQKSFR |
| Organism_Source | Homo sapiens |
| Functional_Classification | protein tyrosine phosphatases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | PTPN11 |
| UniProt_ID | Q06124 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | 1a |
|---|---|
| Peptide_Sequence | LFVSL |
| Peptide_Length | 5 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)O |
| Chemical_Modification | None |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Acetyl |
| C-terminal_Modification | diethylamide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 577.72 |
|---|---|
| Aliphatic_Index | 214.00000 |
| Aromaticity | 0.20000 |
| Average_Rotatable_Bonds | 3.40000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 7 |
| Number_of_Hydrogen_Bond_Donors | 7 |
| Topological_Polar_Surface_Area | 199.95000 |
| X_logP_energy | 0.32070 |
Interaction Information
| Affinity | IC50=36.8 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | 3B7O |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Synthesis and biological evaluation of open-chain analogs of cyclic peptides as inhibitors of cellular Shp2 activity. |
| Release_Year | 2015 |
| PMID | 25865131 |
| DOI | 10.1016/j.bmc.2015.03.035 |