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
 |
 |
 |
|
 |
|---|---|---|---|---|
| LPKTGGQRR | Dansyl chloride |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01171 |
| Smiles | |
| Inchi Key | InChIKey=OHCLWSUSAALSIG-UHFFFAOYSA-N |
| Molecular weight | 1243.66 |
| Molecular formula | C54H89N19O13S |
| Chemical name | Peptide information |
| Sequence (one letter) | LPKTGGQRR |
| Length | 9 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 940908-63-4 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | incorporation of fluorophors (or other non-natural moieties) |
| Pharmacological class | other |
| Conjugate type | sulfonamide |
| Linker | no |
| Small molecule | Dansyl chloride |
| Small molecule CAS | 605-65-2 |
| Structure method | HPLC |
| Calculated properties | |
|---|---|
| LogP | -7.24587 |
| Rotatable bonds | 37 |
| H bond donor | 18 |
| H bond acceptor | 21 |
| Polar surface area (PSA) | 529.65000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Synthesis of Biologically Active Peptide Nucleic Acid-Peptide Conjugates by Sortase-Mediated Ligation | 2007 | Pritz, Stephan; Wolf, Yvonne; Kraetke, Oliver; Klose, Jana; Bienert, Michael; Beyermann, Michael | Journal of Organic Chemistry | ||
