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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| WKK | (3α,5β,7α,12α)-3,7,12-Triaminocholan-24-ol |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01363 |
| Smiles | |
| Inchi Key | InChIKey=LCQLSXIMCQFELO-UHFFFAOYSA-N |
| Molecular weight | 1718.16 |
| Molecular formula | C93H147N21O10 |
| Chemical name | Peptide information |
| Sequence (one letter) | WKK |
| Length | 3 |
| Peptide name | tripeptide |
| External ID | |
|---|---|
| CAS number | 786709-49-7 |
| Other information | |
|---|---|
| Application | Antibiotic, antibacterial |
| Pharmacological class | antimicrobial, antibacterial |
| Conjugate type | amide |
| Linker | no |
| Small molecule | (3α,5β,7α,12α)-3,7,12-Triaminocholan-24-ol |
| Small molecule CAS | 222165-77-7 |
| Structure method | 1H- and 13C NMR |
| Calculated properties | |
|---|---|
| LogP | 1.69060 |
| Rotatable bonds | 52 |
| H bond donor | 22 |
| H bond acceptor | 19 |
| Polar surface area (PSA) | 563.68000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Synthesis and Characterization of Peptide-Cationic Steroid Antibiotic Conjugates | 2004 | Ding, Bangwei; Taotofa, Uale; Orsak, Thomas; Chadwell, Matthew; Savage, Paul B. | Organic Letters | ||
