PDB ligand accession: 2BQ
DrugBank: n/a
PubChem: 6603711;7005136;
ChEMBL:
InChI Key: WBSMZVIMANOCNX-VIFPVBQESA-N
SMILES: c1cc(ccc1C(CN)(CS(=O)(=O)O)O)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Halobenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4MQF | Download | Experimental | e4mqfA1 e4mqfA2 | Flavodoxin-like Flavodoxin-like | LigPlot |