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 |
---|---|---|---|---|---|
1ICR | Download | Experimental | e1icrA1 e1icrB1 | Alpha-beta plaits Alpha-beta plaits | LigPlot |
8CCV | Download | Experimental | e8ccvA1 e8ccvB1 | Alpha-beta plaits Alpha-beta plaits | LigPlot |
8C5E | Download | Experimental | e8c5eA1 e8c5eB1 | Alpha-beta plaits Alpha-beta plaits | LigPlot |
8CJ0 | Download | Experimental | e8cj0A1 e8cj0B1 | Alpha-beta plaits Alpha-beta plaits | LigPlot |
1ICV | Download | Experimental | e1icvB1 e1icvA1 e1icvC1 e1icvD1 | Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |
1ICU | Download | Experimental | e1icuA1 e1icuB1 e1icuC1 e1icuD1 | Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |