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
 |
 |
 |
|
 |
|---|---|---|---|---|
| INCAFKK | PEG | fluorescent xanthylium dye |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00160 |
| Smiles | |
| Inchi Key | InChIKey=PGCWXHLMVYOFEY-USAOBPGYSA-O |
| Molecular weight | 1643.74 |
| Molecular formula | C77H111N16O17[O+]S3 |
| Chemical name | Peptide information |
| Sequence (one letter) | INCAFKK |
| Length | 7 |
| Peptide name | autoinducing peptide (AIP) |
| External ID | |
|---|---|
| CAS number | 2093165-82-1 |
| Other information | |
|---|---|
| Application | Antimicrobial therapy, antibacterial (Staphylococcus aureus) |
| Additional function | Fluorophore and cytotoxic photosensitizer conjugations |
| Pharmacological class | antimicrobial, antibacterial |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | PEG |
| Small molecule | fluorescent xanthylium dye |
| Small molecule CAS | 1061632-48-1 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | 0.86529 |
| Rotatable bonds | 42 |
| H bond donor | 12 |
| H bond acceptor | 24 |
| Polar surface area (PSA) | 494.46000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Truncated Autoinducing Peptide Conjugates Selectively Recognize and Kill Staphylococcus aureus | 2017 | Tsuchikama, Kyoji; Shimamoto, Yasuhiro; Anami, Yasuaki | ACS Infectious Diseases | ||
