The details of FoldDB ID: fd0390 |
|---|
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 | fd0390 |
| Smiles | |
| Inchi Key | DIWHRSBTFARDPW-ZAWIMVIBSA-N |
| Molecular weight | 1403.89 |
| Molecular formula | C68H118N22O8S |
| Source | synthetic construct |
| External ID | |
|---|---|
| Reaxys ID | 31546398 |
| Other information | |
|---|---|
| Application | Antimicrobial/peptide mimics |
| Foldamer type | Others |
| Other type | aliphatic urea-based foldamers |
| Calculated properties | |
|---|---|
| LogP | 2.53400 |
| Rotatable Bonds | 61 |
| H Bond Donor | 22 |
| H Bond Acceptor | 30 |
| Polar Surface Area (PSA) | 496.79000 |
| Activity |
|---|
| Activity ID | Assay name | Cell line | Target Protein | Organism | Assay Category | Value | Unit | Type | Measurement object |
|---|---|---|---|---|---|---|---|---|---|
| fdact0106 | RAW 264.7 cell line | Toxicity/Safety Pharmacology | 20.5 | μg/ml | TD50 | ||||
| fdact0107 | bacillus anthracis 9602p | In Vitro (Efficacy) | 1.6 | μg/ml | IC50 | for germinated spores | |||
| fdact0108 | bacillus anthracis 9602p | In Vitro (Efficacy) | 1.5 | μg/ml | IC50 | for encapsulated bacilli |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Effect of replacing main-chain ureas with thiourea and guanidinium surrogates on the bactericidal activity of membrane active oligourea foldamers | 2017 | Stéphanie Antunes., Jean-Philippe Corre., Guillain Mikaty., Céline Douat., Pierre L. Goossens., Gilles Guichard., | Bioorganic & Medicinal Chemistry | ||
