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Schematic representation of peptide, linker and drug in the peptide-drug conjugates
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|---|---|---|---|---|
| CGRKKRRQRRRPPQ | Doxorubicin |
| Identification | |
|---|---|
| ConjuPepDB ID | cpd00526 |
| Smiles | |
| Inchi Key | InChIKey=NQFYJZWFBNOHQP-WAKXDXSFSA-N |
| Molecular weight | 2930.48 |
| Molecular formula | C128H199N43O35S |
| Chemical name | Peptide information |
| Sequence (one letter) | CGRKKRRQRRRPPQ |
| Length | 14 |
| Peptide name | TAT-analogue |
| External ID | |
|---|---|
| CAS number | 1427500-02-4 |
| Other information | |
|---|---|
| Application | Anticancer therapy, KB-3-1 and KB-V1 cells |
| Additional function | Improved cellular uptake and toxicity, overcome drug resistance |
| Pharmacological class | anticancer |
| Conjugate type | sulfide |
| Linker | no |
| Small molecule | Doxorubicin |
| Small molecule CAS | 23214-92-8 |
| Small molecule structure | |
| Calculated properties | |
|---|---|
| LogP | -16.88797 |
| Rotatable bonds | 88 |
| H bond donor | 39 |
| H bond acceptor | 55 |
| Polar surface area (PSA) | 1320.46000 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Cellular uptake and cytotoxicity of drug-peptide conjugates regulated by conjugation site | 2013 | Zhang, Pengcheng; Cheetham, Andrew G.; Lock, Lye Lin; Cui, Honggang | Bioconjugate Chemistry | ||
