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
 |
 |
 |
|
 |
|---|---|---|---|---|
| RGDFK | PEG | Diethyl squarate |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00596 |
| Smiles | |
| Inchi Key | InChIKey=KCHLMFNEGQWYKZ-VHNDDLDTSA-N |
| Molecular weight | 2034.82 |
| Molecular formula | C82H130N12O47 |
| Chemical name | Peptide information |
| Sequence (one letter) | RGDFK |
| Length | 5 |
| Peptide name | endothelial cell epitope |
| External ID | |
|---|---|
| CAS number | 1382799-80-5 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | Conjugation to cellulose of polypeptides, proteins and primary amino compounds |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | PEG |
| Small molecule | Diethyl squarate |
| Small molecule CAS | 5231-87-8 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | -19.34190 |
| Rotatable bonds | 52 |
| H bond donor | 32 |
| H bond acceptor | 52 |
| Polar surface area (PSA) | 915.88000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
A general route to xyloglucan-peptide conjugates for the activation of cellulose surfaces | 2012 | Araujo, Ana Catarina; Nakhai, Azadeh; Ruda, Marcus; Slaettegard, Rikard; Gatenholm, Paul; Brumer, Harry | Carbohydrate Research | ||
