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
 |
 |
 |
|
 |
|---|---|---|---|---|
| XWYAX | triazole | Betulonic acid derivative |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00543 |
| Smiles | |
| Inchi Key | InChIKey=FUCBVZQKWUTVFG-VDYLYUECSA-N |
| Molecular weight | 1189.72 |
| Molecular formula | C71H95N7O9 |
| Chemical name | Peptide information |
| Sequence (one letter) | XWYAX |
| Length | 5 |
| Peptide name | tripeptide |
| External ID | |
|---|---|
| CAS number | 1471997-79-1 |
| Other information | |
|---|---|
| Application | Anti-inflammatoric therapy |
| Pharmacological class | anti-inflammatoric |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | triazole |
| Small molecule | Betulonic acid derivative |
| Small molecule CAS | 1471997-71-3 |
| Small molecule structure | |
| Structure method | 1H- and 13C-NMR |
| NMR solvent | CDCl3 |
| Calculated properties | |
|---|---|
| LogP | 12.71773 |
| Rotatable bonds | 22 |
| H bond donor | 3 |
| H bond acceptor | 9 |
| Polar surface area (PSA) | 196.07000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Betulonic acid-peptide conjugates: synthesis and evaluation of anti-inflammatory activity | 2013 | Govdi, Anastasiya I.; Vasilevsky, Sergei F.; Sokolova, Nadezhda V.; Sorokina, Irina V.; Tolstikova, Tatyana G.; Nenajdenko, Valentine G. | Mendeleev Communications | ||
