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
 |
 |
 |
|
 |
|---|---|---|---|---|
| RXRX | Nalidixic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00134 |
| Smiles | |
| Inchi Key | InChIKey=KVOPNISQTDNBGR-FYZVQMPESA-N |
| Molecular weight | 849.534 |
| Molecular formula | C42H67N13O6 |
| Chemical name | Peptide information |
| Sequence (one letter) | RXRX |
| Length | 4 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 2133449-64-4 |
| Other information | |
|---|---|
| Application | Antimicrobial drug delivery |
| Additional function | Improve activity and fluorescent labeling |
| Pharmacological class | antimicrobial, antibacterial |
| Conjugate type | amide |
| Linker | no |
| Small molecule | Nalidixic acid |
| Small molecule CAS | 0389-08-02 |
| Calculated properties | |
|---|---|
| LogP | 0.15500 |
| Rotatable bonds | 22 |
| H bond donor | 9 |
| H bond acceptor | 14 |
| Polar surface area (PSA) | 321.49000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Enhancing the Potency of Nalidixic Acid toward a Bacterial DNA Gyrase with Conjugated Peptides | 2017 | Ahmed, Marya; Kelley, Shana O. | ACS Chemical Biology | ||
