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
 |
 |
 |
|
 |
|---|---|---|---|---|
| TKPX | 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00838 |
| Smiles | |
| Inchi Key | InChIKey=VIBKXSQBUKYLKQ-LALRHFFWSA-N |
| Molecular weight | 1007.57 |
| Molecular formula | C48H81N9O12S |
| Chemical name | Peptide information |
| Sequence (one letter) | TKPX |
| Length | 4 |
| Peptide name | tuftsin (liberated from the Fc domain of the heavy chain of IgG |
| External ID | |
|---|---|
| CAS number | 1283096-40-1 |
| Other information | |
|---|---|
| Application | Anticancer therapy, A549 and HL-60 cells) |
| Additional function | Increase activity and specific toxicity |
| 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 | |
| Structure method | 1H-NMR |
| Calculated properties | |
|---|---|
| LogP | 1.22869 |
| Rotatable bonds | 24 |
| H bond donor | 8 |
| H bond acceptor | 14 |
| Polar surface area (PSA) | 312.27000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Solid phase synthesis and biological activity of tuftsin conjugates | 2011 | Kukowska-Kaszuba, Magdalena; Dzierzbicka, Krystyna; Serocki, Marcin; Skladanowski, Andrzej | Journal of Medicinal Chemistry | ||
