PPIRE04027
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 | compound 40 |
|---|---|
| Peptide_Sequence | XD |
| Peptide_Length | 2 |
| Peptide_SMILES | NCC(=O)N[C@@H](CC(=O)O)C(=O)O |
| Chemical_Modification | X1=phosphonodifluoromethylphenylalanine |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | 4-(Phosphonodifluoromethyl)Phenylacetyl |
| C-terminal_Modification | amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 190.16 |
|---|---|
| Aliphatic_Index | 0.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.50000 |
| Charge_at_pH_7 | -1.00157 |
| Isoelectric_Point | 3.74999 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 4 |
| Number_of_Hydrogen_Bond_Donors | 4 |
| Topological_Polar_Surface_Area | 129.72000 |
| X_logP_energy | -2.01080 |
Interaction Information
| Affinity | Ki=2.4 nM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| 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 |