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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| XKKKLFKKILKKL | (2S,2S′)-1,1′-bis(pyrid-2-ylmethyl)-2,2′-bipyrrolidine ((S,S′)-BPBP) |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00193 |
| Smiles | |
| Inchi Key | InChIKey=XUNMBICICGGJJI-PPRIFNIHSA-N |
| Molecular weight | 2290.38 |
| Molecular formula | C120H179N25O20 |
| Chemical name | Peptide information |
| Sequence (one letter) | XKKKLFKKILKKL |
| Length | 13 |
| Peptide name | cell-penetrating peptide BP17 |
| External ID | |
|---|---|
| CAS number | 1922111-44-1 |
| 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 | (2S,2S′)-1,1′-bis(pyrid-2-ylmethyl)-2,2′-bipyrrolidine ((S,S′)-BPBP) |
| Small molecule CAS | 1922111-47-4 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | 3.26816 |
| Rotatable bonds | 73 |
| H bond donor | 23 |
| H bond acceptor | 28 |
| Polar surface area (PSA) | 714.86000 |
| 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 | ||
