Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.
3D model is for representation purpose only.
.
.
Schematic representation of peptide, linker and drug in the peptide-drug conjugates
 |
 |
 |
|
 |
|---|---|---|---|---|
| EILSRRPAYRKIL | triazole | protein kinase C inhibitor |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00538 |
| Smiles | |
| Inchi Key | InChIKey=QCUJMAOZSJPAMC-KJVUVCIPSA-N |
| Molecular weight | 2218.26 |
| Molecular formula | C107H163N31O21 |
| Chemical name | Peptide information |
| Sequence (one letter) | EILSRRPAYRKIL |
| Length | 13 |
| Peptide name | peptide substrate |
| External ID | |
|---|---|
| CAS number | 1226853-64-0 |
| 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 | other |
| Linker | N/A |
| Linker Type | triazole |
| Small molecule | protein kinase C inhibitor |
| Small molecule CAS | 1226853-63-9 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | -7.04134 |
| Rotatable bonds | 69 |
| H bond donor | 25 |
| H bond acceptor | 34 |
| Polar surface area (PSA) | 792.30000 |
| 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 | ||
