The details of FoldDB ID: fd0016 |
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| Identification | |
|---|---|
| FoldDB ID | fd0016 |
| Smiles | |
| Inchi Key | JUVXZBDKDLRGRM-AMSGCXRISA-O |
| Molecular weight | 2091.59 |
| Molecular formula | C112H147N29O12 |
| 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. | H-(Naetm+-Nspe-Nspe)4-NH2 |
| Note | Nspe=(S)-N-(1-phenylethyl)glycine Naetm+=N-(1-(2-aminoethyl)-3-methyl-1,2,3-triazolium-methyl)glycine |
| External ID | |
|---|---|
| Reaxys ID | 33323983 |
| Other information | |
|---|---|
| Application | Antimicrobial peptide |
| Foldamer type | Peptoid |
| Calculated properties | |
|---|---|
| LogP | 7.75600 |
| Rotatable Bonds | 67 |
| H Bond Donor | 6 |
| H Bond Acceptor | 37 |
| Polar Surface Area (PSA) | 469.41000 |
| Activity |
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| Activity ID | Assay name | Cell line | Target Protein | Organism | Assay Category | Value | Unit | Type | Measurement object |
|---|---|---|---|---|---|---|---|---|---|
| fdact0392 | Staphylococcus aureus CIP 65.25 | In Vitro (Efficacy) | 6.3 | μM | MIC | ||||
| fdact0393 | Escherichia coli JM109 | In Vitro (Efficacy) | 11.5 | μM | MIC | ||||
| fdact0394 | erythrocyte | human | Toxicity/Safety Pharmacology | > 200 | μM | HC50 | |||
| fdact0395 | erythrocyte | human | Toxicity/Safety Pharmacology | > 200 | μM | HC10 | |||
| fdact0396 | HeLa cell line | Toxicity/Safety Pharmacology | 100 | % | percentage of viable cells | ||||
| fdact0397 | Escherichia coli ATCC 25922 | In Vitro (Efficacy) | 50 | μM | MIC | ||||
| fdact0398 | Enterococcus faecalis ATCC 29212 | In Vitro (Efficacy) | 6.3 | μM | MIC | ||||
| fdact0399 | Staphylococcus aureus CIP 65.25 | In Vitro (Efficacy) | Active | Observation | cytoplasmic leakage and membrane damage | ||||
| fdact0400 | Staphylococcus aureus CIP 65.25 | In Vitro (Efficacy) | ~ 7X10-06 - 8X10-06 | cm | Diameter | holes in cell wall |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
1,2,3-Triazolium-Based Cationic Amphipathic Peptoid Oligomers Mimicking Antimicrobial Helical Peptides | 2018 | Shyam R., Charbonnel N., Job A., Blavignac C., Forestier C., Taillefumier C., Faure S. | ChemMedChem | ||
