PPIRE06214
Target Protein Information
| Protein_Name | Tyrosine-protein phosphatase non-receptor type 1 |
|---|---|
| Protein_Sequence | MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHNGKCREFFPNHQWVKEETQEDKDCPIKEEKGSPLNAAPYGIESMSQDTEVRSRVVGGSLRGAQAASPAKGEPSLPEKDEDHALSYWKPFLVNMCVATVLTAGAYLCYRFLFNSNT |
| Organism_Source | Homo sapiens |
| Functional_Classification | protein-tyrosine phosphatases |
| Cellular_Localization | Cytoplasm |
| Gene_Names | PTPN1 |
| UniProt_ID | P18031 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | DADEpYL-amide |
|---|---|
| Peptide_Sequence | DADEXL |
| Peptide_Length | 6 |
| Peptide_SMILES | CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)C(=O)O |
| Chemical_Modification | X5=O-phospho-L-tyrosine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 618.60 |
|---|---|
| Aliphatic_Index | 81.66667 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.33333 |
| Charge_at_pH_7 | -2.99935 |
| Isoelectric_Point | 3.38003 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 10 |
| Number_of_Hydrogen_Bond_Donors | 10 |
| Topological_Polar_Surface_Area | 320.72000 |
| X_logP_energy | -3.66610 |
Interaction Information
| Affinity | KD=420 nM |
|---|---|
| Affinity_Assay | equilibrium dialysis |
| PDB_ID | None |
| Type | Affinity ligand |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Acquisition of a specific and potent PTP1B inhibitor from a novel combinatorial library and screening procedure. |
| Release_Year | 2001 |
| PMID | 11584002 |
| DOI | 10.1074/jbc.M106568200 |