 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
                      
                      |  |  |  |  |  | 
|---|---|---|---|---|
| GAQVWGFSAK | decanoic acid | 4-[(3-Methyl-2(3H)-benzothiazolylidene)methyl]quinoline | 
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01405 | 
| Smiles | |
| Molecular weight | 1506.76 | 
| Molecular formula | C78H104N15O14S | 
| Chemical name | Peptide information | 
| Sequence (one letter) | GAQVWGFSAK | 
| Length | 10 | 
| Peptide name | N/A | 
| External ID | |
|---|---|
| CAS number | 672308-44-0 | 
| Other information | |
|---|---|
| Application | Diagnosis, fluorescence label | 
| Additional function | DNA binding | 
| Pharmacological class | other | 
| Conjugate type | amide | 
| Linker | N/A | 
| Linker Type | decanoic acid | 
| Small molecule | 4-[(3-Methyl-2(3H)-benzothiazolylidene)methyl]quinoline | 
| Small molecule CAS | 28496-06-02 | 
| Structure method | HPLC, MALDI-TOFMS | 
| Calculated properties | |
|---|---|
| LogP | -3.03162 | 
| Rotatable bonds | 45 | 
| H bond donor | 15 | 
| H bond acceptor | 16 | 
| Polar surface area (PSA) | 440.55000 | 
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI | 
| Thiazole orange-peptide conjugates: Sensitivity of DNA binding to chemical structure | 2004 | Carreon, Jay R.; Mahon, Kerry P. Jr.; Kelley, Shana O. | Organic Letters | ||