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
 |
 |
 |
|
 |
|---|---|---|---|---|
| XGRXXXXXR | hexanamide | 9-Acridinecarboxylic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01441 |
| Smiles | |
| Molecular weight | 1570.62 |
| Molecular formula | C72H82N24O18 |
| Chemical name | Peptide information |
| Sequence (one letter) | XGRXXXXXR |
| Length | 9 |
| Peptide name | unnatural heptapeptide |
| External ID | |
|---|---|
| CAS number | 560071-16-1 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | Interacalators and DNA binding |
| Pharmacological class | other |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | hexanamide |
| Small molecule | 9-Acridinecarboxylic acid |
| Small molecule CAS | 5336-90-3 |
| Small molecule 2 | acid binding block? |
| Structure method | HPLC |
| Calculated properties | |
|---|---|
| LogP | -7.33272 |
| Rotatable bonds | 36 |
| H bond donor | 19 |
| H bond acceptor | 24 |
| Polar surface area (PSA) | 617.64000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
New dsDNA-binding hybrid molecules combining an unnatural peptide and an intercalating moiety | 2003 | Chaltin, Patrick; Borgions, Filip; Rozenski, Jef; Van Aerschot, Arthur; Herdewijn, Piet | Helvetica Chimica Acta | ||
