PDB ligand accession: B11
DrugBank: DB04632
PubChem:
ChEMBL:
InChI Key: JHHBGNIRSUTQAS-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)CNC2CCN(CC2)S(=O)(=O)Nc3cccc(c3)Oc4ccc(cc4)F)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Diphenylethers
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1ZZ2 | Download | Experimental | e1zz2A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |