The details of FoldDB ID: fd0269 |
|---|
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. To access the experimental 3D structure kindly go to the browse structure tab and look for PDB or CCDC id.
.
.
| Identification | |
|---|---|
| FoldDB ID | fd0269 |
| Smiles | |
| Inchi Key | MWLQHMASIMJXBI-ZBHFDYOTSA-N |
| Molecular weight | 926.118 |
| Molecular formula | C44H75N7O14 |
| Other Name
Since there is no uniform representation for the non-natural peptides. This is the name as it is mentioned in the original article and/or the external database. | Cbz-NOIle-NOIle-NOIle-NOIle-NOLeu-NOLeu-NH2 |
| External ID | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Reaxys ID | 30691949 | ||||||||
| Structural Information | |
|---|---|
| Structure reported | yes |
| Method | X-ray |
| CCDC Number (solvent) | 1420774() |
| Reference | |
| Other information | |
|---|---|
| Application | Anticancer Foldamers |
| Foldamer type | β Peptide |
| Other type | α‐Aminoxy peptide |
| Structure Type | Helical |
| Calculated properties | |
|---|---|
| LogP | 7.96900 |
| Rotatable Bonds | 39 |
| H Bond Donor | 7 |
| H Bond Acceptor | 9 |
| Polar Surface Area (PSA) | 282.30000 |
| Activity |
|---|
| Activity ID | Assay name | Cell line | Target Protein | Organism | Assay Category | Value | Unit | Type | Measurement object |
|---|---|---|---|---|---|---|---|---|---|
| fdact0010 | MTT cell viability assay | Kyse510 | 55.8±1.4 | μM | IC50 | ||||
| fdact0011 | MTT cell viability assay | Kyse510 CisR | 65.8±6.5 | μM | IC50 | ||||
| fdact0012 | MTT cell viability assay | A2780 | 91.6±6.5 | μM | IC50 | ||||
| fdact0013 | MTT cell viability assay | A2780 CisR | > 100 | μM | IC50 | ||||
| fdact0014 | MTT cell viability assay | HEK293 | 17.5±1.1 | μM | IC50 |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
α-Aminoxy Oligopeptides: Synthesis, Secondary Structure, and Cytotoxicity of a New Class of Anticancer Foldamers | 2016 | Diedrich D., Moita A.J.R., Rüther A., Frieg B., Reiss G.J., Hoeppner A., Kurz T., Gohlke H., Lüdeke S., Kassack M.U., Hansen F.K. | Chemistry - A European Journal | ||
