PDB ligand accession: NJ8
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: KUCPXASBGVCWFQ-UHFFFAOYSA-N
SMILES: CCCc1ccc(c(c1)O)Oc2ccc(cc2Cl)C#N
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 |
---|---|---|---|---|---|
3NJ8 | Download | Experimental | e3nj8A1 e3nj8B1 | Rossmann-like Rossmann-like | LigPlot |