PDB ligand accession: IC3
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: XSUKDZBLRKXERL-UHFFFAOYSA-N
SMILES: c1cc(c(cc1C(F)(F)F)[N+](=O)O)n2c(c(cn2)C#N)N
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 |
---|---|---|---|---|---|
2W5U | Download | Experimental | e2w5uA1 | Flavodoxin-like | LigPlot |