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
 |
 |
 |
|
 |
|---|---|---|---|---|
| AXGDX | 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01193 |
| Smiles | |
| Molecular weight | 997.494 |
| Molecular formula | C48H71N9O12S |
| Chemical name | Peptide information |
| Sequence (one letter) | AXGDX |
| Length | 5 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 1007310-25-9 |
| Other information | |
|---|---|
| Application | Anticancer therapy, cell adhesion |
| Additional function | Targeting integrin |
| 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 |
| Structure method | 1H-NMR, HPLC |
| NMR solvent | CDCl3 |
| Calculated properties | |
|---|---|
| LogP | 2.74349 |
| Rotatable bonds | 15 |
| H bond donor | 9 |
| H bond acceptor | 12 |
| Polar surface area (PSA) | 301.41000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Bifunctional ligands that target cells displaying the αvβ3 integrin | 2007 | Owen, Robert M.; Carlson, Coby B.; Xu, Jinwang; Mowery, Patricia; Fasella, Elisabetta; Kiessling, Laura L. | ChemBioChem | ||
