PDB ligand accession: BTO
DrugBank: DB07498
PubChem:
ChEMBL: n/a
InChI Key: LQQYZJRCWBRIMW-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)[N+](=O)[O-])c2nc(on2)CCCC(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Oxadiazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2IKG | Download | Experimental | e2ikgA1 | TIM beta/alpha-barrel | LigPlot |