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
 |
 |
 |
|
 |
|---|---|---|---|---|
| GRKKRRQRRRPPQ | PEG | 4-(10,15,20-Tri-4-pyridinyl-21H,23H-porphin-5-yl)benzaldehyde |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01088 |
| Smiles | |
| Molecular weight | 2765.5 |
| Molecular formula | C132H192N42O25 |
| Chemical name | Peptide information |
| Sequence (one letter) | GRKKRRQRRRPPQ |
| Length | 13 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 880760-14-5 |
| Other information | |
|---|---|
| Application | Anticancer therapy, photosensitizers |
| Additional function | improving cellular uptake and water solubility |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | PEG |
| Small molecule | 4-(10,15,20-Tri-4-pyridinyl-21H,23H-porphin-5-yl)benzaldehyde |
| Small molecule CAS | 471913-78-7 |
| Structure method | 1H NMR |
| NMR solvent | H2O/D2O |
| Calculated properties | |
|---|---|
| LogP | -7.47513 |
| Rotatable bonds | 91 |
| H bond donor | 38 |
| H bond acceptor | 47 |
| Polar surface area (PSA) | 1093.60000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Syntheses and cellular studies of water soluble porphyrin-peptide conjugates | 2008 | Sibrian-Vazquez, Martha; Jensen, Timothy J.; Hammer, Robert P.; Vicente, M. Graca H. | Proceedings of SPIE-The International Society for Optical Engineering | ||
