PDB ligand accession: WDU
DrugBank: n/a
PubChem: 3620613;135407999;
ChEMBL:
InChI Key: APWLSOMMVQHYQM-UHFFFAOYSA-N
SMILES: c1cc(ccc1CNC(=O)c2c(c([nH]n2)[N+](=O)[O-])Cl)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Carboxylic acid derivatives
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4WDU | Download | Experimental | e4wduA1 | TIM beta/alpha-barrel | LigPlot |