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 |
---|---|---|---|---|---|
3R2J | Download | Experimental | e3r2jA1 e3r2jB1 e3r2jC1 e3r2jD1 | Isochorismatase-like hydrolases Isochorismatase-like hydrolases Isochorismatase-like hydrolases Isochorismatase-like hydrolases | LigPlot |