PDB ligand accession: NIO
DrugBank: DB00627
PubChem: 938;117629482;
ChEMBL:
InChI Key: PVNIIMVLHYAWGP-UHFFFAOYSA-N
SMILES: c1cc(cnc1)C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Pyridinecarboxylic acids and derivatives
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6WT2 | Download | Experimental | e6wt2A1 e6wt2B1 e6wt2C1 e6wt2D1 | Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |