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
 |
 |
 |
|
 |
|---|---|---|---|---|
| TFFYGGSRGKRNNFKTEEY | PEG | Fallypride derivative |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00376 |
| Smiles | |
| Inchi Key | InChIKey=JBHXYOLAIFYTLE-UHFFFAOYNA-N | Peptide information |
| Sequence (one letter) | TFFYGGSRGKRNNFKTEEY |
| Length | 19 |
| Peptide name | DOTA10-AngioPep (DOTA-AP) |
| External ID | |
|---|---|
| CAS number | 1609278-93-4 |
| Other information | |
|---|---|
| Application | Synthesis, peptidic carrier to facilitate blood-brain barrier transport |
| Additional function | Diagnosis, in vivo PET imaging or combined PET/optical imaging of hD2 receptors |
| Pharmacological class | other |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | PEG |
| Small molecule | Fallypride derivative |
| Small molecule CAS | 1609258-23-2 |
| Small molecule structure | |
| Structure method | DMSO-d6 |
| Calculated properties | |
|---|---|
| LogP | -15.79884 |
| Rotatable bonds | 113 |
| H bond donor | 42 |
| H bond acceptor | 59 |
| Polar surface area (PSA) | 1291.65000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Shuttle-Cargo Fusion Molecules of Transport Peptides and the hD2/3 Receptor Antagonist Fallypride: A Feasible Approach To Preserve Ligand-Receptor Binding? | 2014 | Wangler, Carmen; Chowdhury, Shafinaz; Hofner, Georg; Djurova, Petia; Purisima, Enrico O.; Bartenstein, Peter; Wangler, Bjorn; Fricker, Gert; Wanner, Klaus T.; Schirrmacher, Ralf | Journal of Medicinal Chemistry | ||
