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
 |
 |
 |
|
 |
|---|---|---|---|---|
| QACKGKIQALCENG | Carbamic acid, N-[(3α,5β,7α,12α)-7-(acetyloxy)-3,24-diamino-24-oxocholan-12-yl]-, 1,1-dimethylethyl ester |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00982 |
| Smiles | |
| Molecular weight | 3321.7 |
| Molecular formula | C181H236N24O32S2 |
| Chemical name | Peptide information |
| Sequence (one letter) | QACKGKIQALCENG |
| Length | 14 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 1190704-92-7 |
| Other information | |
|---|---|
| Application | Anticancer therapy |
| Additional function | Targeting |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | no |
| Small molecule | Carbamic acid, N-[(3α,5β,7α,12α)-7-(acetyloxy)-3,24-diamino-24-oxocholan-12-yl]-, 1,1-dimethylethyl ester |
| Small molecule CAS | 1529814-32-2 |
| Structure method | 1H NMR, HPLC |
| Calculated properties | |
|---|---|
| LogP | 14.77932 |
| Rotatable bonds | 93 |
| H bond donor | 24 |
| H bond acceptor | 26 |
| Polar surface area (PSA) | 801.91000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Towards the conformational mimicry of the measles virus HNE loop: design, synthesis and biological evaluation of a cyclic bile acid-peptide conjugate | 2009 | Bode, Catherine A.; Bechet, Tom; Prodhomme, Emmanuel; Gheysen, Katelijne; Gregoir, Pieter; Martins, Jose C.; Muller, Claude P.; Madder, Annemieke | Organic & Biomolecular Chemistry | ||
