PPIRE16633
Target Protein Information
| Protein_Name | Bcl-2-like protein 1 |
|---|---|
| Protein_Sequence | MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK |
| Organism_Source | Homo sapiens |
| Functional_Classification | apoptosis regulators |
| Cellular_Localization | Mitochondria |
| Gene_Names | BCL2L1 |
| UniProt_ID | Q07817 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | Bak(72-87) |
|---|---|
| Peptide_Sequence | QVGRQLAIIGDDINR |
| Peptide_Length | 15 |
| Peptide_SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC)[C@@H](C)CC |
| Chemical_Modification | None |
| 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 | 1667.89 |
|---|---|
| Aliphatic_Index | 130.00000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 3.86667 |
| Charge_at_pH_7 | -0.00113 |
| Isoelectric_Point | 6.45000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 23 |
| Number_of_Hydrogen_Bond_Donors | 27 |
| Topological_Polar_Surface_Area | 798.39000 |
| X_logP_energy | -8.80906 |
Interaction Information
| Affinity | KD=0.34 uM |
|---|---|
| Affinity_Assay | binding assay |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | HOPPI-NMR: Hot-Peptide-Based Screening Assay for Inhibitors of Protein-1rotein Interactions by NMR |
| Release_Year | 2020 |
| PMID | 32435424 |
| DOI | 10.1021/acsmedchemlett.9b00620 |