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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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| RR | 2H-1-Benzopyran-6-sulfonic acid, 3,4-dihydro-2,2,5,7,8-pentamethyl- |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01225 |
| Smiles | |
| Inchi Key | InChIKey=CVTVUFWXBAUWDV-UHFFFAOYSA-N |
| Molecular weight | 1061.53 |
| Molecular formula | C50H79N9O12S2 |
| Chemical name | Peptide information |
| Sequence (one letter) | RR |
| Length | 2 |
| Peptide name | dipeptide |
| External ID | |
|---|---|
| CAS number | 956697-38-4 |
| Other information | |
|---|---|
| Application | Anticancer therapy, DNA replication |
| Additional function | inhibition of cyclin-dependent kinase 2 (CDK2) / cyclin A substrate reruitment |
| Pharmacological class | anticancer |
| Conjugate type | sulfonamide |
| Linker | no |
| Small molecule | 2H-1-Benzopyran-6-sulfonic acid, 3,4-dihydro-2,2,5,7,8-pentamethyl- |
| Small molecule CAS | 745073-71-6 |
| Structure method | 1H NMR, HPLC |
| Calculated properties | |
|---|---|
| LogP | 5.08960 |
| Rotatable bonds | 20 |
| H bond donor | 10 |
| H bond acceptor | 15 |
| Polar surface area (PSA) | 316.39000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
REPLACE: a strategy for iterative design of cyclin-binding groove inhibitors | 2006 | Andrews, Martin J. I.; Kontopidis, George; McInnes, Campbell; Plater, Andy; Innes, Lorraine; Cowan, Angela; Jewsbury, Philip; Fischer, Peter M. | ChemBioChem | ||
