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
 |
 |
 |
|
 |
|---|---|---|---|---|
| RGDS | glycolic acid | Estradiol |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01030 |
| Smiles | |
| Molecular weight | 787.375 |
| Molecular formula | C37H53N7O12 |
| Chemical name | Peptide information |
| Sequence (one letter) | RGDS |
| Length | 4 |
| Peptide name | tetrapeptide |
| External ID | |
|---|---|
| CAS number | 906673-86-7 |
| Other information | |
|---|---|
| Application | Osteoporosis therapy |
| Additional function | Increasing oral potency and decrassing side effect |
| Pharmacological class | other |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | glycolic acid |
| Small molecule | Estradiol |
| Small molecule CAS | 50-28-2 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | -3.19008 |
| Rotatable bonds | 20 |
| H bond donor | 11 |
| H bond acceptor | 14 |
| Polar surface area (PSA) | 319.66000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
3D QSAR of novel estrogen-RGD peptide conjugates: Getting insight into structural dependence of anti-osteoporosis activity and side effect of estrogen in ERT | 2009 | Zhao, Ming; Liu, Jiangyuan; Zhang, Xiaoyi; Peng, Li; Li, Chunyu; Peng, Shiqi | Bioorganic & Medicinal Chemistry | ||
