 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
                      
                      |  |  |  |  |  | 
|---|---|---|---|---|
| SGC | 3-Methoxyestra-1,3,5(10),16-tetraeno[17,16-d]pyrimidin-2′-amine | 
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01005 | 
| Smiles | |
| Molecular weight | 838.388 | 
| Molecular formula | C49H54N6O5S | 
| Chemical name | Peptide information | 
| Sequence (one letter) | SGC | 
| Length | 3 | 
| Peptide name | tripeptide | 
| External ID | |
|---|---|
| CAS number | 1199559-02-8 | 
| Other information | |
|---|---|
| Application | Diagnostic, detection of estrogen positive breast cancer cells | 
| Additional function | Radiolabel complexation | 
| Pharmacological class | other | 
| Conjugate type | amide | 
| Linker | no | 
| Small molecule | 3-Methoxyestra-1,3,5(10),16-tetraeno[17,16-d]pyrimidin-2′-amine | 
| Small molecule CAS | 669056-32-0 | 
| Structure method | 1H and 13C NMR | 
| Calculated properties | |
|---|---|
| LogP | 7.36338 | 
| Rotatable bonds | 17 | 
| H bond donor | 4 | 
| H bond acceptor | 8 | 
| Polar surface area (PSA) | 157.56000 | 
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI | 
| Estrano[17,16-e]pyrimidine-amino acid and estrano[17,16-e]pyrimidine-peptide conjugates | 2009 | Matsumoto, Tomohiro; Shiine, Kodai; Mataka, Shuntaro; Thiemann, Thies | Journal of Chemical Research | ||