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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| XII | ethylendiamine | 9-Aminoacridine |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01275 |
| Smiles | |
| Inchi Key | InChIKey=SGKRNEWFOKEMSJ-UHFFFAOYSA-N |
| Molecular weight | 676.431 |
| Molecular formula | C38H56N6O5 |
| Chemical name | Peptide information |
| Sequence (one letter) | XII |
| Length | 3 |
| Peptide name | tripeptide |
| External ID | |
|---|---|
| CAS number | 910240-18-5 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | DNA binding affinity |
| Pharmacological class | other |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | ethylendiamine |
| Small molecule | 9-Aminoacridine |
| Small molecule CAS | 90-45-9 |
| Structure method | 1H NMR, HPLC |
| NMR solvent | DMSO-d6 |
| Calculated properties | |
|---|---|
| LogP | 5.57474 |
| Rotatable bonds | 20 |
| H bond donor | 5 |
| H bond acceptor | 6 |
| Polar surface area (PSA) | 150.55000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
New peptide conjugates with 9-aminoacridine: synthesis and binding to DNA | 2006 | Sebestik, Jaroslav; Stibor, Ivan; Hlavacek, Jan | Journal of Peptide Science | ||
