| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2005 | 21 | Yes |
Popular Name: 4-acetylamino-5-amino-3-(1-ethylpropoxy)-2-methyl-cyclohexene-1-carboxylic 4-acetylamino-5-amino-3-(1-ethyl…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.41 | -3.48 | -69.41 | 4 | 6 | 0 | 106 | 298.383 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A8K327-1-E | Sialidase 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2300 | 0.38 | Binding ≤ 10μM |
| NEUR1-1-E | Sialidase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2300 | 0.38 | Binding ≤ 10μM |
| NEUR2-1-E | Sialidase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2300 | 0.38 | Binding ≤ 10μM |
| NRAM-1-V | Neuraminidase (cluster #1 Of 2), Viral | Viruses | 2300 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NRAM_I34A1 | P03468 | Neuraminidase, I34a1 | 2300 | 0.38 | Binding ≤ 10μM |
| NEUR1_HUMAN | Q99519 | Sialidase 1, Human | 2300 | 0.38 | Binding ≤ 10μM |
| NEUR2_HUMAN | Q9Y3R4 | Sialidase 2, Human | 2300 | 0.38 | Binding ≤ 10μM |
| A8K327_HUMAN | A8K327 | Sialidase 3, Human | 2300 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Assembly of Viral Components at the Budding Site | |
| Budding | |
| Entry of Influenza Virion into Host Cell via Endocytosis | |
| Fusion of the Influenza Virion to the Host Cell Endosome | |
| Glycosphingolipid metabolism | |
| Influenza Life Cycle | |
| Influenza Virus Induced Apoptosis | |
| Packaging of Eight RNA Segments | |
| Release | |
| Sialic acid metabolism | |
| Transport of HA trimer, NA tetramer and M2 tetramer from the endoplasmic reticul | |
| Uncoating of the Influenza Virion | |
| Viral mRNA Translation |
