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
 |
 |
 |
|
 |
|---|---|---|---|---|
| XGRPAK | b-carboline alkaloid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00788 |
| Smiles | |
| Inchi Key | InChIKey=MMKAINRSCWHYDN-AIBLZPBVSA-N |
| Molecular weight | 831.439 |
| Molecular formula | C41H57N11O8 |
| Chemical name | Peptide information |
| Sequence (one letter) | XGRPAK |
| Length | 6 |
| Peptide name | pentapeptide generated by plasmin degradation from the fibrinogen beta chain |
| External ID | |
|---|---|
| CAS number | 1305119-12-3 |
| Other information | |
|---|---|
| Application | Anti-thrombolytic therapy |
| Additional function | Free radical scavenging and thrombolitic activity, protective effect against organ injury induced by I/R in rat |
| Conjugate type | amide |
| Linker | no |
| Small molecule | b-carboline alkaloid |
| Small molecule CAS | 519032-21-4 |
| Small molecule structure | |
| NMR solvent | CD3OD + TFA |
| Calculated properties | |
|---|---|
| LogP | -3.26497 |
| Rotatable bonds | 20 |
| H bond donor | 10 |
| H bond acceptor | 13 |
| Polar surface area (PSA) | 301.48000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
A new class of β-carboline alkaloid-peptide conjugates with therapeutic efficacy in acute limb ischemia/reperfusion injury | 2011 | Bi, Wei; Bi, Yue; Xue, Ping; Zhang, Yanrong; Gao, Xiang; Wang, Zhibo; Li, Meng; Baudy-Floc'h, Michele; Ngerebara, Nathaniel; Michael Gibson, K.; Bi, Lanrong | European Journal of Medicinal Chemistry | ||
