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
 |
 |
 |
|
 |
|---|---|---|---|---|
| RCKRWRWKWRW | propanamide | Doxorubicin |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00163 |
| Smiles | |
| Inchi Key | InChIKey=DFXPPKRLOOLIKL-QQZJEUQSSA-N |
| Molecular weight | 2525.17 |
| Molecular formula | C121H160N32O25S2 |
| Chemical name | Peptide information |
| Sequence (one letter) | RCKRWRWKWRW |
| Length | 11 |
| Peptide name | [C(WR)4K2(b-A)] |
| External ID | |
|---|---|
| CAS number | 2148902-15-0 |
| Other information | |
|---|---|
| Application | Anticancer therapy, CCRF-CEM, SKOV-3, LLCPK cells |
| Additional function | Improve cell-penetration, nuclear targeting and solubility |
| Pharmacological class | anticancer |
| Conjugate type | disulfide |
| Linker | N/A |
| Linker Type | propanamide |
| Small molecule | Doxorubicin |
| Small molecule CAS | 23214-92-8 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | -1.40603 |
| Rotatable bonds | 52 |
| H bond donor | 33 |
| H bond acceptor | 39 |
| Polar surface area (PSA) | 950.24000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Cyclic peptide conjugate of curcumin and doxorubicin as an anticancer agent | 2017 | Darwish, Shaban; Mozaffari, Saghar; Parang, Keykavous; Tiwari, Rakesh | Tetrahedron Letters | ||
