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
 |
 |
 |
|
 |
|---|---|---|---|---|
| II | ethylendiamine | 9-Aminoacridine |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01278 |
| Smiles | |
| Inchi Key | InChIKey=LIPSCTHZRVBYHT-UHFFFAOYSA-N |
| Molecular weight | 563.347 |
| Molecular formula | C32H45N5O4 |
| Chemical name | Peptide information |
| Sequence (one letter) | II |
| Length | 2 |
| Peptide name | dipeptide |
| External ID | |
|---|---|
| CAS number | 910240-11-8 |
| 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 | 5.26521 |
| Rotatable bonds | 14 |
| H bond donor | 4 |
| H bond acceptor | 5 |
| Polar surface area (PSA) | 121.45000 |
| 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 | ||
