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 |
---|---|---|---|---|---|
5Y9M | Download | Experimental | e5y9mX1 e5y9mA1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
5YF9 | Download | Experimental | e5yf9X1 e5yf9B1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
5YWM | Download | Experimental | e5ywmX1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |