 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
                      
                      |  |  |  |  |  | 
|---|---|---|---|---|
| XRXXXXXR | hexanamide | 9-Acridinecarboxylic acid | 
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01439 | 
| Smiles | |
| Molecular weight | 1555.65 | 
| Molecular formula | C73H85N23O17 | 
| Chemical name | Peptide information | 
| Sequence (one letter) | XRXXXXXR | 
| Length | 8 | 
| Peptide name | unnatural heptapeptide | 
| External ID | |
|---|---|
| CAS number | 560071-18-3 | 
| Other information | |
|---|---|
| Application | Synthesis | 
| Additional function | Interacalators and DNA binding | 
| Pharmacological class | other | 
| Conjugate type | amide | 
| Linker | N/A | 
| Linker Type | hexanamide | 
| Small molecule | 9-Acridinecarboxylic acid | 
| Small molecule CAS | 5336-90-3 | 
| Small molecule 2 | acid binding block? | 
| Structure method | HPLC | 
| Calculated properties | |
|---|---|
| LogP | -5.04963 | 
| Rotatable bonds | 37 | 
| H bond donor | 18 | 
| H bond acceptor | 23 | 
| Polar surface area (PSA) | 588.54000 | 
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI | 
| New dsDNA-binding hybrid molecules combining an unnatural peptide and an intercalating moiety | 2003 | Chaltin, Patrick; Borgions, Filip; Rozenski, Jef; Van Aerschot, Arthur; Herdewijn, Piet | Helvetica Chimica Acta | ||