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
 |
 |
 |
|
 |
|---|---|---|---|---|
| EXGEVNXVAEFXXXXXD | PEG | Cholestanol |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00918 |
| Smiles | |
| Inchi Key | InChIKey=USCJWTGYSJKZBD-ZEVFTZAUSA-O |
| Molecular weight | 3345.95 |
| Molecular formula | C168H270N23O45[O+] |
| Chemical name | Peptide information |
| Sequence (one letter) | EXGEVNXVAEFXXXXXD |
| Length | 17 |
| Peptide name | oligopeptide |
| External ID | |
|---|---|
| CAS number | 867062-93-9 |
| Other information | |
|---|---|
| Application | Alzheimer’s disease therapy, beta-secretase inhibition |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | PEG |
| Small molecule | Cholestanol |
| Small molecule CAS | 80-97-7 |
| Small molecule structure | |
| Structure method | 1H and 13C NMR, COSY, HMBC, HSQC, ROESY |
| NMR solvent | CDCl3 or CD3OD |
| Calculated properties | |
|---|---|
| LogP | -0.88487 |
| Rotatable bonds | 128 |
| H bond donor | 22 |
| H bond acceptor | 48 |
| Polar surface area (PSA) | 925.31000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Structural Design, Solid‐Phase Synthesis and Activity of Membrane‐Anchored β‐Secretase Inhibitors on Aβ Generation from Wild‐Type and Swedish‐Mutant APP | 2010 | Schieb, Heinke; Weidlich, Sebastian; Schlechtingen, Georg; Linning, Philipp; Jennings, Gary; Gruner, Margit; Wiltfang, Jens; Klafki, Hans-Wolfgang; Knoelker, Hans-Joachim | Chemistry - A European Journal | ||
