PDB ligand accession: NIO
DrugBank: DB00627
InChI Key: PVNIIMVLHYAWGP-UHFFFAOYSA-N
SMILES: c1cc(cnc1)C(=O)O
Drug action: binder
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 |
---|---|---|---|---|
P40261 | Download | Predicted | P40261_F1_nD1 | Rossmann-like |
3ROD | Predicted | e3rodA1 e3rodB1 e3rodC1 e3rodD1 | ||
5YJF | Predicted | e5yjfC1 e5yjfA1 e5yjfB1 e5yjfD1 | ||
6CHH | Predicted | e6chhA1 e6chhB1 e6chhC1 e6chhD1 |