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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| XRKI | Benzoic acid, 4-[(Z)-[3-[(4-fluorophenyl)methyl]-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]- |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00461 |
| Smiles | |
| Inchi Key | InChIKey=IBIPUTBLDUJAAM-MYUTVYAHSA-N |
| Molecular weight | 753.343 |
| Molecular formula | C36H48FN9O6S |
| Chemical name | Peptide information |
| Sequence (one letter) | XRKI |
| Length | 4 |
| Peptide name | N/A |
| External ID | |
|---|---|
| CAS number | 1474053-13-8 |
| Other information | |
|---|---|
| Application | Antimicrobial, antiviral, dengue virus protease inhibitor |
| Pharmacological class | antimicrobial, antiviral |
| Conjugate type | amide |
| Linker | no |
| Small molecule | Benzoic acid, 4-[(Z)-[3-[(4-fluorophenyl)methyl]-4-oxo-2-thioxo-5-thiazolidinylidene]methyl]- |
| Small molecule CAS | 1474053-34-3 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | 1.27177 |
| Rotatable bonds | 21 |
| H bond donor | 7 |
| H bond acceptor | 10 |
| Polar surface area (PSA) | 258.19000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Thiazolidinone-Peptide Hybrids as Dengue Virus Protease Inhibitors with Antiviral Activity in Cell Culture | 2013 | Nitsche, Christoph; Schreier, Verena N.; Behnam, Mira A. M.; Kumar, Anil; Bartenschlager, Ralf; Klein, Christian D. | Journal of Medicinal Chemistry | ||
