PPIPT02260
Target Protein Information
| Protein_Name | Protein S100-B |
|---|---|
| Protein_Sequence | MSELEKAMVALIDVFHQYSGREGDKHKLKKSELKELINNELSHFLEEIKEQEVVDKVMETLDNDGDGECDFQEFMAFVAMVTTACHEFFEHE |
| Organism_Source | Homo sapiens |
| Functional_Classification | Calcium-binding regulatory protein (EF-hand family) |
| Cellular_Localization | Cytoplasm |
| Gene_Names | S100B |
| UniProt_ID | P04271 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | pBBD-TRTK AA |
|---|---|
| Peptide_Sequence | TRTKADAXKILXKX |
| Peptide_Length | 14 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O |
| Chemical_Modification | X8=Ahx; X12=Aib; X14=Ahx; X16=Aib |
| Cyclization_Method | none |
| Linear/Cyclic | Linear |
| N-terminal_Modification | free |
| C-terminal_Modification | free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 1415.66 |
|---|---|
| Aliphatic_Index | 70.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.64286 |
| Charge_at_pH_7 | 2.99754 |
| Isoelectric_point | 11.07952 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 22 |
| Number_of_Hydrogen_Bond_Donors | 24 |
| Topological_Polar_Surface_Area | 659.34000 |
| X_logP_energy | -8.38653 |
Interaction Information
| Affinity | KD=135 nM |
|---|---|
| Affinity_Assay | fluorescence anisotropy |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Patent |
|---|---|
| Title | NOVEL HIGH AFFINITY BIVALENT HELICALLY CONSTRAINED PEPTIDE AGAINST CANCER (:contentReference[oaicite:5]{index=5}) |
| Release_Year | 2014 |
| Patent_ID | US20140155331A1 |