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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| VXGSWSXXFQVIA | PEG | Vancomycin |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00240 |
| Smiles | |
| Inchi Key | InChIKey=BHSHPXOXIRVMKD-QRMJFVLQSA-N |
| Molecular weight | 3204.43 |
| Molecular formula | C149H207Cl2N31O44 |
| Chemical name | Peptide information |
| Sequence (one letter) | VXGSWSXXFQVIA |
| Length | 13 |
| Peptide name | tridecaptin A1 |
| External ID | |
|---|---|
| CAS number | 1832593-73-3 |
| 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 | Vancomycin |
| Small molecule CAS | 66863-43-2 |
| Small molecule structure | |
| Structure method | 1H- anf 13C-NMR |
| NMR solvent | CDCl3 |
| Calculated properties | |
|---|---|
| LogP | -10.95885 |
| Rotatable bonds | 78 |
| H bond donor | 40 |
| H bond acceptor | 49 |
| Polar surface area (PSA) | 1159.70000 |
| 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 | ||
