 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
                      
                      |  |  |  |  |  | 
|---|---|---|---|---|
| ACKGGGGXQ | (3α,5β,7α,12α)-7-(acetyloxy)-12-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(2-propen-1-yloxy)carbonyl]amino]-cholan-24-oic acid | 
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01110 | 
| Smiles | |
| Molecular weight | 2010 | 
| Molecular formula | C109H139N15O20S | 
| Chemical name | Peptide information | 
| Sequence (one letter) | ACKGGGGXQ | 
| Length | 9 | 
| Peptide name | N/A | 
| External ID | |
|---|---|
| CAS number | 1001202-22-7 | 
| Other information | |
|---|---|
| Application | Synthesis | 
| Additional function | development of a peptide vaccine against measles | 
| Pharmacological class | other | 
| Conjugate type | amide | 
| Linker | no | 
| Small molecule | (3α,5β,7α,12α)-7-(acetyloxy)-12-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[[(2-propen-1-yloxy)carbonyl]amino]-cholan-24-oic acid | 
| Small molecule CAS | 261957-67-9 | 
| Calculated properties | |
|---|---|
| LogP | 6.62848 | 
| Rotatable bonds | 33 | 
| H bond donor | 15 | 
| H bond acceptor | 19 | 
| Polar surface area (PSA) | 512.45000 | 
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI | 
| Validation of a solid-phase-bound steroid scaffold for the synthesis of novel cyclic peptidosteroids | 2007 | Bode, Catherine A.; Muller, Claude P.; Madder, Annemieke | Journal of Peptide Science | ||