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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| INCAFKK | PEG | (T-4)-[2-[4-azido-1-(4-iodo-3,5-dimethyl-2H-pyrrol-2-ylidene-κN)butyl]-4-iodo-3,5-dimethyl-1H-pyrrolato-κN]difluoro-boron |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00161 |
| Smiles | |
| Inchi Key | InChIKey=UAEIPUJNUYUHNB-IYHSVJQMSA-N |
| Molecular weight | 884.458 |
| Molecular formula | C42H64N10O9S |
| Chemical name | Peptide information |
| Sequence (one letter) | INCAFKK |
| Length | 7 |
| Peptide name | autoinducing peptide (AIP) |
| External ID | |
|---|---|
| CAS number | 2093165-81-0 |
| 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 | (T-4)-[2-[4-azido-1-(4-iodo-3,5-dimethyl-2H-pyrrol-2-ylidene-κN)butyl]-4-iodo-3,5-dimethyl-1H-pyrrolato-κN]difluoro-boron |
| Small molecule CAS | 1459727-95-7 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | -2.71301 |
| Rotatable bonds | 21 |
| H bond donor | 10 |
| H bond acceptor | 11 |
| Polar surface area (PSA) | 315.90000 |
| 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 | ||
