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.
.
.
Schematic representation of peptide, linker and drug in the peptide-drug conjugates
 |
 |
 |
|
 |
|---|---|---|---|---|
| GYGVP | butyric acid | 3,4-Dihydro-4-oxo-2-quinazolinebutanoic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00102 |
| Smiles | |
| Inchi Key | InChIKey=ACCNNZNLIRIANN-VRCSSVMSSA-N |
| Molecular weight | 795.359 |
| Molecular formula | C42H49N7O9 |
| Chemical name | Peptide information |
| Sequence (one letter) | GYGVP |
| Length | 5 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 2411424-07-0 |
| Other information | |
|---|---|
| Application | Antimicrobial therapy, antibacteraial (Gramm-positive and negative) |
| Additional function | Improve effect |
| Pharmacological class | antimicrobial, antibacterial |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | butyric acid |
| Small molecule | 3,4-Dihydro-4-oxo-2-quinazolinebutanoic acid |
| Small molecule CAS | 95494-51-2 |
| Small molecule structure | |
| Structure method | 1H- and 13C-NMR |
| Calculated properties | |
|---|---|
| LogP | 2.12365 |
| Rotatable bonds | 19 |
| H bond donor | 6 |
| H bond acceptor | 10 |
| Polar surface area (PSA) | 224.70000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Effect of low charge and high hydrophobicity on antimicrobial activity of the quinazolinone-peptide conjugates | 2018 | Rakesh, Kadallipura Puttaswamy; Ramesh, Suhas; Shivakumar; Gowda, Dase Channe | Russian Journal of Bioorganic Chemistry | ||
