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
 |
 |
 |
|
 |
|---|---|---|---|---|
| NXPKID | triazole | N-[4-(Azidomethyl)-2-oxo-2H-1-benzopyran-7-yl]acetamide |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00345 |
| Smiles | |
| Inchi Key | InChIKey=FYERFVCFARDQSZ-FHVYZRNGSA-N |
| Molecular weight | 976.44 |
| Molecular formula | C45H60N12O13 |
| Chemical name | Peptide information |
| Sequence (one letter) | NXPKID |
| Length | 6 |
| Peptide name | hexapeptide |
| External ID | |
|---|---|
| CAS number | 1809332-27-1 |
| Other information | |
|---|---|
| Application | Synthesis, Y1-receptor binding |
| Additional function | Preparation of biotin and fluorophore-labelled peptides |
| Pharmacological class | other |
| Conjugate type | ether |
| Linker | N/A |
| Linker Type | triazole |
| Small molecule | N-[4-(Azidomethyl)-2-oxo-2H-1-benzopyran-7-yl]acetamide |
| Small molecule CAS | 1268630-44-9 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | -5.92077 |
| Rotatable bonds | 16 |
| H bond donor | 8 |
| H bond acceptor | 15 |
| Polar surface area (PSA) | 358.77000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Propargyloxyproline regio- and stereoisomers for Click-conjugation of peptides: Synthesis and application in linear and cyclic peptides | 2015 | Northfield, Susan E.; Mountford, Simon J.; Wielens, Jerome; Liu, Mengjie; Zhang, Lei; Herzog, Herbert; Holliday, Nicholas D.; Scanlon, Martin J.; Parker, Michael W.; Chalmers, David K.; Thompson, Philip E. | Australian Journal of Chemistry | ||
