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
 |
 |
 |
|
 |
|---|---|---|---|---|
| VXGSWSXXFQVIA | PEG | Erythromycin |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00237 |
| Smiles | |
| Inchi Key | InChIKey=ZVHCULHKQHCNPR-QILYLSKCSA-N |
| Molecular weight | 2380.35 |
| Molecular formula | C112H185N23O33 |
| Chemical name | Peptide information |
| Sequence (one letter) | VXGSWSXXFQVIA |
| Length | 13 |
| Peptide name | tridecaptin A1 |
| External ID | |
|---|---|
| CAS number | 1832593-76-6 |
| Other information | |
|---|---|
| Application | Antimicrobial, antibacterial, Gram-negative Klebsiella) |
| Additional function | Increased efficacy |
| Pharmacological class | antimicrobial, antibacterial |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | PEG |
| Small molecule | Erythromycin |
| Small molecule CAS | 0114-07-08 |
| Structure method | 1H- anf 13C-NMR |
| NMR solvent | CDCl3 |
| Calculated properties | |
|---|---|
| LogP | -7.50826 |
| Rotatable bonds | 66 |
| H bond donor | 26 |
| H bond acceptor | 40 |
| Polar surface area (PSA) | 832.76000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Synthesis of Tridecaptin-Antibiotic Conjugates with in Vivo Activity against Gram-Negative Bacteria | 2015 | Cochrane, Stephen A.; Li, Xuefeng; He, Sisi; Yu, Min; Wu, Min; Vederas, John C. | Journal of Medicinal Chemistry | ||
