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
 |
 |
 |
|
 |
|---|---|---|---|---|
| XFFW | beta-carboline derivative |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00756 |
| Smiles | |
| Inchi Key | InChIKey=UTEVQJOPLMCNJD-ZYADHFCISA-N |
| Molecular weight | 696.306 |
| Molecular formula | C41H40N6O5 |
| Chemical name | Peptide information |
| Sequence (one letter) | XFFW |
| Length | 4 |
| Peptide name | tripeptide |
| External ID | |
|---|---|
| CAS number | 1310735-84-2 |
| Other information | |
|---|---|
| Application | Anti-inflammatoric- and analgesic therapy |
| Additional function | Analgesic activity and protective effect against mesenteric I/R injury in the rat |
| Conjugate type | amide |
| Linker | no |
| Small molecule | beta-carboline derivative |
| Small molecule CAS | 66863-43-2 |
| Small molecule structure | |
| Structure method | 1H-NMR |
| NMR solvent | CDCl3 |
| Calculated properties | |
|---|---|
| LogP | 2.28025 |
| Rotatable bonds | 13 |
| H bond donor | 7 |
| H bond acceptor | 6 |
| Polar surface area (PSA) | 168.21000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Novel β-carboline-tripeptide conjugates attenuate mesenteric ischemia/reperfusion injury in the rat | 2011 | Bi, Wei; Bi, Yue; Xue, Ping; Zhang, Yanrong; Gao, Xiang; Wang, Zhibo; Li, Meng; Baudy-Floc'h, Michele; Ngerebara, Nathaniel; Li, Xiaoxu; Gibson, K. Michael; Bi, Lanrong | European Journal of Medicinal Chemistry | ||
