PDB ligand accession: M22
DrugBank: DB08154
PubChem:
ChEMBL:
InChI Key: WHCLIFOVZDANCU-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)c(n[nH]2)COc3ccc(c(c3)Oc4cc(cc(c4)Cl)C#N)Cl
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 |
---|---|---|---|---|---|
3C6U | Download | Experimental | e3c6uA9 e3c6uA12 | Ribonuclease H-like Alpha-beta plaits | LigPlot |