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
 |
 |
 |
|
 |
|---|---|---|---|---|
| ACKGGGGXQ | (3α,5β,7α,12α)-7-(acetyloxy)-12-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(2-propen-1-yloxy)carbonyl]amino]-cholan-24-oic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01108 |
| Smiles | |
| Inchi Key | InChIKey=KVAKKXNVLGDYTA-UHFFFAOYSA-N |
| Molecular weight | 1145.63 |
| Molecular formula | C53H87N13O13S |
| Chemical name | Peptide information |
| Sequence (one letter) | ACKGGGGXQ |
| Length | 9 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 1001202-24-9 |
| Other information | |
|---|---|
| Application | Synthesis |
| Additional function | development of a peptide vaccine against measles |
| Pharmacological class | other |
| Conjugate type | amide |
| Linker | no |
| Small molecule | (3α,5β,7α,12α)-7-(acetyloxy)-12-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(2-propen-1-yloxy)carbonyl]amino]-cholan-24-oic acid |
| Small molecule CAS | 261957-67-9 |
| Structure method | RP-HPLC |
| Calculated properties | |
|---|---|
| LogP | -6.94204 |
| Rotatable bonds | 12 |
| H bond donor | 15 |
| H bond acceptor | 14 |
| Polar surface area (PSA) | 423.43000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Validation of a solid-phase-bound steroid scaffold for the synthesis of novel cyclic peptidosteroids | 2007 | Bode, Catherine A.; Muller, Claude P.; Madder, Annemieke | Journal of Peptide Science | ||
