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
 |
 |
 |
|
 |
|---|---|---|---|---|
| RGDSRGDS | succinic acid | Estradiol |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01039 |
| Smiles | |
| Molecular weight | 1742.76 |
| Molecular formula | C87H106N16O23 |
| Chemical name | Peptide information |
| Sequence (one letter) | RGDSRGDS |
| Length | 8 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 1147834-79-4 |
| Other information | |
|---|---|
| Application | Osteoporosis therapy |
| Additional function | enhance potency, reduce side effects and improve oral propert |
| Pharmacological class | other |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | succinic acid |
| Small molecule | Estradiol |
| Small molecule CAS | 50-28-2 |
| Small molecule structure | |
| Structure method | 1H and 13C NMR |
| NMR solvent | DMSO-d6 or CDCl3 |
| Calculated properties | |
|---|---|
| LogP | 4.10785 |
| Rotatable bonds | 52 |
| H bond donor | 15 |
| H bond acceptor | 25 |
| Polar surface area (PSA) | 558.79000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Synthesis, evaluation and 3D QSAR analysis of novel estradiol-RGD octapeptide conjugates with oral anti-osteoporosis activity | 2009 | Liu, Jiangyuan; Zhang, Xiaoyi; Zhao, Ming; Peng, Shiqi | European Journal of Medicinal | ||
