 Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.
                        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.
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 Schematic representation of peptide, linker and drug in the peptide-drug conjugates
                        Schematic representation of peptide, linker and drug in the peptide-drug conjugates
                      
                      |  |  |  |  |  | 
|---|---|---|---|---|
| TKPKGTKPKGTKPKGTKPKG | glycolic acid | N-(4-Acetylphenyl)-5-bromo-2-hydroxybenzamide | 
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00130 | 
| Smiles | |
| Inchi Key | InChIKey=VQGMHRGOSVOMGM-NHFOEDLHSA-N | 
| Molecular weight | 2406.33 | 
| Molecular formula | C109H180ClN31O28 | 
| Chemical name | Peptide information | 
| Sequence (one letter) | TKPKGTKPKGTKPKGTKPKG | 
| Length | 20 | 
| Peptide name | N/A | 
| External ID | |
|---|---|
| CAS number | 2100270-29-7 | 
| Other information | |
|---|---|
| Application | Antimicrobial therapy, anti-tuberculosis | 
| Additional function | Target cell-directed delivery and fluorescent labeling | 
| Pharmacological class | antimicrobial, antibacterial | 
| Conjugate type | amide | 
| Linker | N/A | 
| Linker Type | glycolic acid | 
| Small molecule | N-(4-Acetylphenyl)-5-bromo-2-hydroxybenzamide | 
| Small molecule CAS | 1007653-77-1 | 
| Small molecule structure |  | 
| Structure method | 1H- and 13C-NMR | 
| Calculated properties | |
|---|---|
| LogP | -13.50958 | 
| Rotatable bonds | 78 | 
| H bond donor | 31 | 
| H bond acceptor | 37 | 
| Polar surface area (PSA) | 949.93000 | 
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI | 
| In vitro biological evaluation of new antimycobacterial salicylanilide-tuftsin conjugates | 2017 | European Journal of Medicinal Chemistry | European Journal of Medicinal Chemistry | ||