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
 |
 |
 |
|
 |
|---|---|---|---|---|
| GPLGIAGQ | pacitaxel derivative |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00924 |
| Smiles | |
| Inchi Key | InChIKey=WZPPFAAUAFGMQQ-HYUBKVMMSA-N |
| Molecular weight | 1588.72 |
| Molecular formula | C80H104N10O24 |
| Chemical name | Peptide information |
| Sequence (one letter) | GPLGIAGQ |
| Length | 8 |
| Peptide name | octapeptide recognized and cleaved by MMP4 |
| External ID | |
|---|---|
| CAS number | 1293910-27-6 |
| Other information | |
|---|---|
| Application | Antitumor therapy |
| Additional function | Targeting overexpressing MMP2, enhance efficacy |
| Conjugate type | ester |
| Linker | no |
| Small molecule | pacitaxel derivative |
| Small molecule CAS | 114655-02-6 |
| Small molecule structure | |
| Structure method | 1H- and 13C-NMR |
| NMR solvent | CDCl3 |
| Calculated properties | |
|---|---|
| LogP | -0.31973 |
| Rotatable bonds | 38 |
| H bond donor | 11 |
| H bond acceptor | 19 |
| Polar surface area (PSA) | 494.46000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Biological evaluation of paclitaxel-peptide conjugates as a model for MMP2-targeted drug delivery | 2010 | Yamada, Roppei; Kostova, Maya B.; Anchoori, Ravi Kumar; Xu, Shili; Neamati, Nouri; Khan, Saeed R. | Cancer Biology & Therapy | ||
