PDB ligand accession: 7DE
DrugBank: DB01959
PubChem:
ChEMBL:
InChI Key: MSYGAHOHLUJIKV-UHFFFAOYSA-N
SMILES: CCOC(=O)c1c(nn(c1C)c2cccc(c2)[N+](=O)[O-])C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Pyrazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1Y2J | Download | Experimental | e1y2jA1 e1y2jB1 | PDEase-like PDEase-like | LigPlot |