PDB ligand accession: PXD
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: SYJGKVOENHZYMQ-UHFFFAOYSA-N
SMILES: COc1cnc(n2c1nc(n2)NS(=O)(=O)c3c(cccc3OCC(F)F)C(F)(F)F)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzenesulfonamides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6DEQ | Download | Experimental | e6deqA2 e6deqA3 | Thiamin diphosphate-binding fold (THDP-binding) Rossmann-like | LigPlot |