PDB ligand accession: CIH
DrugBank: DB07559
PubChem:
ChEMBL:
InChI Key: DDSLONVJHZPSBB-UVTDQMKNSA-N
SMILES: CC(=C(C#N)C(=O)Nc1ccc(c(c1)Cl)c2ccccc2Cl)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Biphenyls and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3FJ6 | Download | Experimental | e3fj6A1 | TIM beta/alpha-barrel | LigPlot |