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
 |
 |
 |
|
 |
|---|---|---|---|---|
| GGGGRGDS | 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00293 |
| Smiles | |
| Inchi Key | InChIKey=ORDGYFBVTAFDES-CHQNGUEUSA-N |
| Molecular weight | 1125.5 |
| Molecular formula | C48H75N11O18S |
| Chemical name | Peptide information |
| Sequence (one letter) | GGGGRGDS |
| Length | 8 |
| Peptide name | octapeptide |
| External ID | |
|---|---|
| CAS number | 1826066-62-9 |
| Other information | |
|---|---|
| Application | Synthesis, supramolecular UPy–peptide conjugate polymer |
| Additional function | Possible biomaterial applications |
| Pharmacological class | other |
| 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 | -5.63039 |
| Rotatable bonds | 31 |
| H bond donor | 12 |
| H bond acceptor | 19 |
| Polar surface area (PSA) | 436.71000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Solid-phase-based synthesis of ureidopyrimidinone-peptide conjugates for supramolecular biomaterials | 2015 | de Feijter, Isja; Goor, Olga J. G. M.; Hendrikse, Simone I. S.; Comellas-Aragones, Marta; Soentjens, Serge H. M.; Zaccaria, Sabrina; Fransen, Peter P. K. H.; Peeters, Joris W.; Milroy, Lech-Gustav; Dankers, Patricia Y. W. | Synlett | ||
