 Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.
                        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
                        Schematic representation of peptide, linker and drug in the peptide-drug conjugates
                      
                      |  |  |  |  |  | 
|---|---|---|---|---|
| TKPR | 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide | 
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00808 | 
| Smiles | |
| Inchi Key | InChIKey=PVBNIJGISJHSIF-UGMRNKNYSA-N | 
| Molecular weight | 908.504 | 
| Molecular formula | C43H72N8O11S | 
| Chemical name | Peptide information | 
| Sequence (one letter) | TKPR | 
| Length | 4 | 
| Peptide name | tuftsin (liberated from the Fc domain of the heavy chain of IgG | 
| External ID | |
|---|---|
| CAS number | 1283096-36-5 | 
| 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 | 0.87771 | 
| Rotatable bonds | 21 | 
| H bond donor | 7 | 
| H bond acceptor | 13 | 
| Polar surface area (PSA) | 283.17000 | 
| 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 | ||