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
 |
 |
 |
|
 |
|---|---|---|---|---|
| RKGRS | 2-Anthraquinonecarboxylic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00936 |
| Smiles | |
| Inchi Key | InChIKey=KAVXULVOPVLSNY-VLTLVFMNSA-N |
| Molecular weight | 1378.61 |
| Molecular formula | C68H90N12O15S2 |
| Chemical name | Peptide information |
| Sequence (one letter) | RKGRS |
| Length | 5 |
| Peptide name | Glu-AQ |
| External ID | |
|---|---|
| CAS number | 1239603-92-9 |
| Other information | |
|---|---|
| Application | Synthesis and DNA nuclease activity |
| Additional function | DNA cleavage, metal-free |
| Conjugate type | sulfonamide |
| Linker | no |
| Small molecule | 2-Anthraquinonecarboxylic acid |
| Small molecule CAS | 117-78-2 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | 5.27833 |
| Rotatable bonds | 19 |
| H bond donor | 10 |
| H bond acceptor | 19 |
| Polar surface area (PSA) | 405.53000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
A Metal-Free DNA Nuclease Based on a Cyclic Peptide Scaffold | 2010 | Alkhader, Shadad; Ezra, Aviva; Kasparkova, Jana; Brabec, Viktor; Yavin, Eylon | Bioconjugate Chemistry | ||
