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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| CYGRKKRRQRRR | 2,2′-Dithiobis[5-nitropyridine] |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00540 |
| Smiles | |
| Inchi Key | InChIKey=YVKFISDBNIVUNR-RZGVDQIZSA-N |
| Molecular weight | 1814.96 |
| Molecular formula | C72H126N36O16S2 |
| Chemical name | Peptide information |
| Sequence (one letter) | CYGRKKRRQRRR |
| Length | 12 |
| Peptide name | TAT (fragment) |
| External ID | |
|---|---|
| CAS number | 1433417-38-9 |
| Other information | |
|---|---|
| Application | Anticancer therapy, PKC inhibition |
| Additional function | Possible strategy for selective, cell-penetrating kinase inhibitor against cancer, immunological disorders, and neurodegenerative diseases |
| Pharmacological class | anticancer |
| Conjugate type | disulfide |
| Linker | no |
| Small molecule | 2,2′-Dithiobis[5-nitropyridine] |
| Small molecule CAS | 2127-10-8 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | -12.21639 |
| Rotatable bonds | 65 |
| H bond donor | 29 |
| H bond acceptor | 38 |
| Polar surface area (PSA) | 949.68000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Cell-Penetrating Bisubstrate-Based Protein Kinase C Inhibitors | 2013 | van Wandelen, Loek T. M.; van Ameijde, Jeroen; Ismail-Ali, Ahmed F.; van Ufford, H. C. Quarles; Vijftigschild, Lodewijk A. W.; Beekman, Jeffrey M.; Martin, Nathaniel I.; Ruijtenbeek, Rob; Liskamp, Rob M. J. | ACS Chemical Biology | ||
