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
 |
 |
 |
|
 |
|---|---|---|---|---|
| XASXQSL | Doxorubicin |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01495 |
| Smiles | |
| Molecular weight | 1466.67 |
| Molecular formula | C69H98N10O25 |
| Chemical name | Peptide information |
| Sequence (one letter) | XASXQSL |
| Length | 7 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 440357-46-0 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | Anyalitics |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | no |
| Small molecule | Doxorubicin |
| Small molecule CAS | 23214-92-8 |
| Structure method | HPLC, FT-IR |
| Calculated properties | |
|---|---|
| LogP | -4.30364 |
| Rotatable bonds | 36 |
| H bond donor | 17 |
| H bond acceptor | 25 |
| Polar surface area (PSA) | 560.16000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Employment of on-line FT-IR spectroscopy to monitor the deprotection of a 9-fluorenylmethyl protected carboxylic acid peptide conjugate of doxorubicin | 2002 | Cameron, Mark; Zhou, George X.; Hicks, Micheal B.; Antonucci, Vincent; Ge, Zhihong; Lieberman, David R.; Lynch, Joesph E.; Shi, Yao-Jun | Journal of Pharmaceutical and Biomedical Analysis | ||
