PPIRE13525
Target Protein Information
| Protein_Name | Induced myeloid leukemia cell differentiation protein Mcl-1 |
|---|---|
| Protein_Sequence | MFGLKRNAVIGLNLYCGGAGLGAGSGGATRPGGRLLATEKEASARREIGGGEAGAVIGGSAGASPPSTLTPDSRRVARPPPIGAEVPDVTATPARLLFFAPTRRAAPLEEMEAPAADAIMSPEEELDGYEPEPLGKRPAVLPLLELVGESGNNTSTDGSLPSTPPPAEEEEDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHVEDLEGGIRNVLLAFAGVAGVGAGLAYLIR |
| Organism_Source | Homo sapiens |
| Functional_Classification | Bcl-2 family proteins |
| Cellular_Localization | Mitochondrion |
| Gene_Names | MCL1 |
| UniProt_ID | Q07820 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | SAH-MS1-13 |
|---|---|
| Peptide_Sequence | IWXXQELXRLGDEINAYYARR |
| Peptide_Length | 21 |
| Peptide_SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC |
| Chemical_Modification | X=(S)-4-pentenylalanine |
| Cyclization_Method | Side chain-side chain cyclization; other bonds |
| Linear/Cyclic | Cyclic |
| N-terminal_Modification | Free |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 2437.70 |
|---|---|
| Aliphatic_Index | 83.80952 |
| Aromaticity | 0.14286 |
| Average_Rotatable_Bonds | 3.80952 |
| Charge_at_pH_7 | 0.00027 |
| Isoelectric_Point | 6.57260 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 32 |
| Number_of_Hydrogen_Bond_Donors | 39 |
| Topological_Polar_Surface_Area | 1085.35000 |
| X_logP_energy | -9.40029 |
Interaction Information
| Affinity | IC50=55 nM |
|---|---|
| Affinity_Assay | Fluorescence Polarization |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Iterative optimization yields Mcl-1-targeting stapled peptides with selective cytotoxicity to Mcl-1-dependent cancer cells. |
| Release_Year | 2017 |
| PMID | 29339518 |
| DOI | 10.1073/pnas.1712952115 |