Use the buttons at the bottom of Jsmol viewer to see different representations, ON/OFF Hydrogens, and ON/OFF rotation.
3D model is for representation purpose only.
.
.
Schematic representation of peptide, linker and drug in the peptide-drug conjugates
 |
 |
 |
|
 |
|---|---|---|---|---|
| RLNF | 1-(1-Methylethyl)-2-(trifluoromethyl)-1H-benzimidazole-5-carboxylic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd01229 |
| Smiles | |
| Molecular weight | 819.38 |
| Molecular formula | C37H49F4N11O6 |
| Chemical name | Peptide information |
| Sequence (one letter) | RLNF |
| Length | 4 |
| Peptide name | tetrapeptide |
| External ID | |
|---|---|
| CAS number | 851456-31-0 |
| 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 | amide |
| Linker | no |
| Small molecule | 1-(1-Methylethyl)-2-(trifluoromethyl)-1H-benzimidazole-5-carboxylic acid |
| Small molecule CAS | 306935-42-2 |
| Structure method | 1H NMR, HPLC |
| Calculated properties | |
|---|---|
| LogP | 0.36299 |
| Rotatable bonds | 21 |
| H bond donor | 9 |
| H bond acceptor | 10 |
| Polar surface area (PSA) | 282.30000 |
| 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 | ||
