The details of FoldDB ID: fd0961 |
|---|
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 | fd0961 |
| Smiles | |
| Inchi Key | FSBANYSGHOZVGU-MIOSCZSPSA-N |
| Molecular weight | 1386.84 |
| Molecular formula | C69H119N21O9 |
| Source | synthetic construct |
| External ID | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Reaxys ID | 20115256 | ||||||||
| Structural Information | |
|---|---|
| Structure reported | yes |
| Method | NMR |
| NMR Solvent | 1,1,1-trideuteromethanol |
| Other information | |
|---|---|
| Application | antimicrobial activity |
| Foldamer type | γ Peptide |
| Other type | oligoureas, γ4-peptides hybrid |
| Structure Type | helical |
| Calculated properties | |
|---|---|
| LogP | 2.30700 |
| Rotatable Bonds | 61 |
| H Bond Donor | 21 |
| H Bond Acceptor | 30 |
| Polar Surface Area (PSA) | 469.74000 |
| Activity |
|---|
| Activity ID | Assay name | Cell line | Target Protein | Organism | Assay Category | Value | Unit | Type | Measurement object |
|---|---|---|---|---|---|---|---|---|---|
| fdact0588 | In Vitro (others) | Candida parapsilosis | In Vitro (Efficacy) | 64 | mg/L | MFC (minimum fungicidal concentration) | |||
| fdact0589 | In Vitro (others) | Candida parapsilosis | In Vitro (Efficacy) | 32 | mg/L | MIC | |||
| fdact0590 | In Vitro (others) | Pichia kudriavzevii | In Vitro (Efficacy) | 32 | mg/L | MFC (minimum fungicidal concentration) | |||
| fdact0591 | In Vitro (others) | Pichia kudriavzevii | In Vitro (Efficacy) | 16 | mg/L | MIC | |||
| fdact0592 | In Vitro (others) | Candida albicans | In Vitro (Efficacy) | 64 | mg/L | MFC (minimum fungicidal concentration) | |||
| fdact0593 | In Vitro (others) | Candida albicans | In Vitro (Efficacy) | 64 | mg/L | MIC | |||
| fdact0594 | In Vitro (others) | Escherichia coli | In Vitro (Efficacy) | 128 | mg/L | MBC (minimum bactericidal concentration) | |||
| fdact0595 | In Vitro (others) | Escherichia coli | In Vitro (Efficacy) | 64 | mg/L | MIC | |||
| fdact0596 | In Vitro (others) | Staphylococcus aureus | In Vitro (Efficacy) | 64 | mg/L | MBC (minimum bactericidal concentration) | |||
| fdact0597 | In Vitro (others) | Staphylococcus aureus | In Vitro (Efficacy) | 16 | mg/L | MIC | |||
| fdact0598 | In Vitro (others) | Pseudomonas aeruginosa | In Vitro (Efficacy) | 128 | mg/L | MBC (minimum bactericidal concentration) | |||
| fdact0599 | In Vitro (others) | Pseudomonas aeruginosa | In Vitro (Efficacy) | 32 | mg/L | MIC | |||
| fdact0600 | In Vitro (others) | erythrocyte | sheep | In Vitro (Efficacy) |
| qualitative | |||
| fdact0601 | bacillus anthracis 9602p | In Vitro (Efficacy) | 7 | μg/mL | IC50 | ||||
| fdact0602 | bacillus anthracis 9602pr | In Vitro (Efficacy) | 8.5 | μg/mL | IC50 | ||||
| fdact0603 | bacillus anthracis 9602p | In Vitro (Efficacy) | 75 | second | half life time | Time needed to reach 50% killing | |||
| fdact0604 | bacillus anthracis 9602pr | In Vitro (Efficacy) | 45 | second | half life time | Time needed to reach 50% killing | |||
| fdact0605 | bacillus anthracis 9602p | In Vitro (Efficacy) | 10 | mug/ml | IC50 | ||||
| fdact0606 | bacillus anthracis 9602p | In Vitro (Efficacy) | 120 | second | half life time | Time needed to reach 50% killing |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
Consequences of Isostructural Main‐Chain Modifications for the Design of Antimicrobial Foldamers: Helical Mimics of Host‐Defense Peptides Based on a Heterogeneous Amide/Urea Backbone | 2010 | Claudon, Paul., Violette, Aude., Lamour, Karen., Decossas, Marion., Fournel, Sylvie., Heurtault, Beatrice., Godet, Julien., Mely, Yves., Jamart-Gregoire, Brigitte., Averlant-Petit, Marie-Christine., Briand, Jean-Paul., Duportail, Guy., Monteil, Henri., Guichard, Gilles., | Angewandte Chemie - International Edition | ||
Proteolytically Stable Foldamer Mimics of Host-Defense Peptides with Protective Activities in a Murine Model of Bacterial Infection | 2016 | Teyssières, Emilie., Corre, Jean-Philippe., Antunes, Stephanie., Rougeot, Catherine., Dugave, Christophe., Jouvion, Grégory., Claudon, Paul., Mikaty, Guillain., Douat, Céline., Goossens, Pierre L., Guichard, Gilles | Journal of medicinal chemistry | ||
