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
 |
 |
 |
|
 |
|---|---|---|---|---|
| LVRRFRRFFRRVRRCVLL | Pteroic acid |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00031 |
| Smiles | |
| Inchi Key | InChIKey=FPFXCROJIUKDNF-DXBFVHEYSA-N |
| Molecular weight | 2883.65 |
| Molecular formula | C131H210N50O23S |
| Chemical name | Peptide information |
| Sequence (one letter) | LVRRFRRFFRRVRRCVLL |
| Length | 18 |
| Peptide name | lytic peptides |
| External ID | |
|---|---|
| CAS number | 2305943-24-0 |
| Other information | |
|---|---|
| Application | Anticancer therapy, MCF-7 cells |
| Additional function | Targeting folate (FA) receptor and overcome drug resistance |
| Pharmacological class | anticancer |
| Conjugate type | amide |
| Linker | no |
| Small molecule | Pteroic acid |
| Small molecule CAS | 119-24-4 |
| Small molecule structure | |
| NMR solvent | DMSO-d6 |
| Calculated properties | |
|---|---|
| LogP | -6.54670 |
| Rotatable bonds | 94 |
| H bond donor | 45 |
| H bond acceptor | 53 |
| Polar surface area (PSA) | 1243.78000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Synthesis and anti-cancer evaluation of folic acid-peptide- paclitaxel conjugates for addressing drug resistance | 2019 | Dai, Yuxuan; Cai, Xingguang; Bi, Xinzhou; Liu, Chunxia; Yue, Na; Zhu, Ying; Zhou, Jiaqi; Fu, Mian; Huang, Wenlong; Qian, Hai | European Journal of Medicinal Chemistry | ||
