PDB ligand accession: DHR
DrugBank: DB03430
PubChem:
ChEMBL: n/a
InChI Key: HOOOPXDSCKBLFG-MRVPVSSYSA-N
SMILES: c1cc(ccc1C(C#N)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Phenols
- Subclass: 1-hydroxy-2-unsubstituted benzenoids
- Class: Phenols
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1E55 | Download | Experimental | e1e55A1 e1e55B1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |