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
 |
 |
 |
|
 |
|---|---|---|---|---|
| AGIGKFLHSAKKFGKAFVGEILNS | 5-(4-carboxyphenyl)-10,15,20-triphenylporphyrin |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00212 |
| Smiles | |
| Inchi Key | InChIKey=BNXFUEFHIKVEKS-XIXYHJNYSA-N |
| Molecular weight | 3158.63 |
| Molecular formula | C163H215N35O31 |
| Chemical name | Peptide information |
| Sequence (one letter) | AGIGKFLHSAKKFGKAFVGEILNS |
| Length | 24 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 2011745-40-5 |
| 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 | -3.42758 |
| Rotatable bonds | 93 |
| H bond donor | 36 |
| H bond acceptor | 38 |
| Polar surface area (PSA) | 1046.67000 |
| 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 | ||
