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
 |
 |
 |
|
 |
|---|---|---|---|---|
| GRGRK | 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00944 |
| Smiles | |
| Inchi Key | InChIKey=GBTRTBSUTMHCLK-XEZIGOATSA-N |
| Molecular weight | 1176.57 |
| Molecular formula | C53H84N12O14S2 |
| Chemical name | Peptide information |
| Sequence (one letter) | GRGRK |
| Length | 5 |
| Peptide name | Glu-AQ |
| External ID | |
|---|---|
| CAS number | 1239603-97-4 |
| Other information | |
|---|---|
| Application | Synthesis and DNA nuclease activity |
| Additional function | DNA cleavage, metal-free |
| Conjugate type | sulfonamide |
| Linker | no |
| Small molecule | 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide |
| Small molecule CAS | 378230-81-0 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | 0.43291 |
| Rotatable bonds | 26 |
| H bond donor | 11 |
| H bond acceptor | 18 |
| Polar surface area (PSA) | 405.61000 |
| 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 | ||
