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
 |
 |
 |
|
 |
|---|---|---|---|---|
| GGGPKKKXKVGG | 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00971 |
| Smiles | |
| Molecular weight | 2470.32 |
| Molecular formula | C122H179N27O26S |
| Chemical name | Peptide information |
| Sequence (one letter) | GGGPKKKXKVGG |
| Length | 12 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 1202186-23-9 |
| Other information | |
|---|---|
| Application | Anticancer therapy |
| Pharmacological class | anticancer |
| Conjugate type | sulfonamide |
| Linker | no |
| Small molecule | 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonic acid |
| Small molecule CAS | 1430820-46-4 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | 6.65309 |
| Rotatable bonds | 74 |
| H bond donor | 20 |
| H bond acceptor | 28 |
| Polar surface area (PSA) | 727.85000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Design and synthesis of novel histone deacetylase inhibitor derived from nuclear localization signal peptide | 2009 | Joshua C.Canzoneri; Po C.Chen; Adegboyega K.Oyelere | Bioorganic & Medicinal Chemistry Letters | ||
