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
 |
 |
 |
|
 |
|---|---|---|---|---|
| CMYIEALDKYAC | glutaric acid | Fmoc-protected doxorubicine |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00719 |
| Smiles | |
| Inchi Key | InChIKey=AUVXSKLJGQSYOR-MBHWYACESA-N |
| Molecular weight | 2504.93 |
| Molecular formula | C124H148N14O36S3 |
| Chemical name | Peptide information |
| Sequence (one letter) | CMYIEALDKYAC |
| Length | 12 |
| Peptide name | EGFR-binding peptide (EBP) |
| External ID | |
|---|---|
| CAS number | 1268633-57-3 |
| Other information | |
|---|---|
| Application | Anticancer therapy, SW480, SGC-7901, MCF-8 |
| Additional function | Targeting EGFR overexpressing tumor cells, enhance efficacy and reduce systemic toxicity |
| Conjugate type | amide |
| Linker | N/A |
| Linker Type | glutaric acid |
| Small molecule | Fmoc-protected doxorubicine |
| Small molecule CAS | 136582-53-1 |
| Small molecule structure | |
| Structure method | NMR |
| Calculated properties | |
|---|---|
| LogP | 7.93792 |
| Rotatable bonds | 65 |
| H bond donor | 25 |
| H bond acceptor | 33 |
| Polar surface area (PSA) | 764.34000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Biological Evaluation of a Novel Doxorubicin-Peptide Conjugate for Targeted Delivery to EGF Receptor-Overexpressing Tumor Cells | 2011 | Ai, Shibin; Duan, Jianli; Liu, Xin; Bock, Stephanie; Tian, Yuan; Huang, Zebo | Molecular Pharmaceutics | ||
