PDB ligand accession: BEW
DrugBank: n/a
PubChem: 506601;101061652;
ChEMBL: n/a
InChI Key: YBBJKCMMCRQZMA-UHFFFAOYSA-O
SMILES: c1cc[n+](c(c1)S)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Pyridinium derivatives
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5TH4 | Download | Experimental | e5th4A1 | Carbonic anhydrase | LigPlot |
3M1K | Download | Experimental | e3m1kA1 | Carbonic anhydrase | LigPlot |
4JSS | Download | Experimental | e4jssA1 | Carbonic anhydrase | LigPlot |