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
 |
 |
 |
|
 |
|---|---|---|---|---|
| GIGKALHSAKKFGKAFVGEILNS | 5-(4-carboxyphenyl)-10,15,20-triphenylporphyrin |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00216 |
| Smiles | |
| Inchi Key | InChIKey=VUMBYDWMZCNENB-LNWPJIQJSA-N |
| Molecular weight | 3011.56 |
| Molecular formula | C154H206N34O30 |
| Chemical name | Peptide information |
| Sequence (one letter) | GIGKALHSAKKFGKAFVGEILNS |
| Length | 23 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 2011745-36-9 |
| Other information | |
|---|---|
| Application | Synthesis, self-assembling chiral supramolecular structures |
| Additional function | Construction of complex synthetic system mimicking naturally occurring porphyrin-peptide conjugates |
| Pharmacological class | other |
| Conjugate type | amide |
| Linker | no |
| Small molecule | 5-(4-carboxyphenyl)-10,15,20-triphenylporphyrin |
| Small molecule CAS | 95051-10-8 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | -4.54739 |
| Rotatable bonds | 89 |
| H bond donor | 35 |
| H bond acceptor | 37 |
| Polar surface area (PSA) | 1017.57000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Linker dependent chirality of solvent induced self-assembled structures of porphyrin–α-helical peptide conjugates | 2016 | Biscaglia, Francesca; Frezza, Elisa; Zurlo, Enrico; Gobbo, Marina | Organic & Biomolecular Chemistry | ||
