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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| SKLGRFTFCSC | hexanamide | Purvalanol B (PVB) |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00209 |
| Smiles | |
| Inchi Key | InChIKey=IMPAHUUNZRYKCW-ARCSVNHTSA-N |
| Molecular weight | 1789.83 |
| Molecular formula | C80H120ClN23O18S2 |
| Chemical name | Peptide information |
| Sequence (one letter) | SKLGRFTFCSC |
| Length | 11 |
| Peptide name | cell division cycle 6 (CDC6) |
| External ID | |
|---|---|
| CAS number | 1988771-85-2 |
| Other information | |
|---|---|
| Application | Anticancer therapy, kinase inhibition (CDK2) |
| Additional function | Improve inhibitory effect |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | hexanamide |
| Small molecule | Purvalanol B (PVB) |
| Small molecule CAS | 212844-54-7 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | -4.47964 |
| Rotatable bonds | 55 |
| H bond donor | 25 |
| H bond acceptor | 28 |
| Polar surface area (PSA) | 651.52000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Peptide-assisted enhancement of inhibitory effects of small molecular inhibitors for kinases | 2016 | Wang, Wei; Hirano, Yoshinori; Uzawa, Takanori; Taiji, Makoto; Ito, Yoshihiro | Bulletin of the Chemical Society of Japan | ||
