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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| XKKKLFKKILKKL | 1,4-dimethyl-7-(2-pyridylmethyl)-1,4,7-triazacyclononane (Me2PyTACN) |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00197 |
| Smiles | |
| Inchi Key | InChIKey=GKXOTOPFTLBQHX-NDYPFOBESA-N |
| Molecular weight | 1858.31 |
| Molecular formula | C93H167N25O14 |
| Chemical name | Peptide information |
| Sequence (one letter) | XKKKLFKKILKKL |
| Length | 13 |
| Peptide name | cell-penetrating peptide BP21 |
| External ID | |
|---|---|
| CAS number | 1922111-40-7 |
| Other information | |
|---|---|
| Application | Anticancer therapy, pro-oxidant |
| Additional function | Chelate intracellular iron in cancer cells |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | no |
| Small molecule | 1,4-dimethyl-7-(2-pyridylmethyl)-1,4,7-triazacyclononane (Me2PyTACN) |
| Small molecule CAS | 1818904-04-9 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | -1.98424 |
| Rotatable bonds | 68 |
| H bond donor | 21 |
| H bond acceptor | 25 |
| Polar surface area (PSA) | 626.14000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Delivering aminopyridine ligands into cancer cells through conjugation to the cell-penetrating peptide BP16 | 2016 | Soler, M.; Gonzalez-Bartulos, M.; Figueras, E.; Massaguer, A.; Feliu, L.; Planas, M.; Ribas, X.; Costas, M. | Organic & Biomolecular Chemistry | ||
