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
 |
 |
 |
|
 |
|---|---|---|---|---|
| GII | ethylendiamine | 9-Aminoacridine |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01277 |
| Smiles | |
| Inchi Key | InChIKey=IHMNFWWPJAZMHW-UHFFFAOYSA-N |
| Molecular weight | 620.369 |
| Molecular formula | C34H48N6O5 |
| Chemical name | Peptide information |
| Sequence (one letter) | GII |
| Length | 3 |
| Peptide name | tripeptide |
| External ID | |
|---|---|
| CAS number | 910240-12-9 |
| 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 | 4.15993 |
| Rotatable bonds | 16 |
| 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 | ||
