PPIPT02168
Target Protein Information
| Protein_Name | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 |
|---|---|
| Protein_Sequence | MADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE |
| Organism_Source | Homo sapiens |
| Functional_Classification | Peptidyl-prolyl isomerase |
| Cellular_Localization | Cytoplasm |
| Gene_Names | PIN1 |
| UniProt_ID | Q13526 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Pin1-inhibitor-8 |
|---|---|
| Peptide_Sequence | aXXXXaXFRRRRXK |
| Peptide_Length | 14 |
| Peptide_SMILES | C[C@H](N)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O |
| Chemical_Modification | X=non-std;lowercase=D-amino |
| Cyclization_Method | multi-point cyclization |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Free |
| C-terminal_Modification | Amide |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1402.58 |
|---|---|
| Aliphatic_Index | 14.28571 |
| Aromaticity | 0.07143 |
| Average_Rotatable_Bonds | 3.50000 |
| Charge_at_pH_7 | 4.99768 |
| Isoelectric_point | 12.98095 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 20 |
| Number_of_Hydrogen_Bond_Donors | 28 |
| Topological_Polar_Surface_Area | 715.24000 |
| X_logP_energy | -11.04632 |
Interaction Information
| Affinity | Ki=620 nM |
|---|---|
| Affinity_Assay | Fluorescence Polarization |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Patent |
|---|---|
| Title | Cell penetrating peptides and methods of making and using thereof |
| Release_Year | 2022 |
| Patent_ID | US20220177523A1 |