PDB ligand accession: 3NK
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: HGXDFGVHMYOSDC-UHFFFAOYSA-N
SMILES: CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Butyrophenones
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4A2R | Download | Experimental | e4a2rA1 | TIM beta/alpha-barrel | LigPlot |
4A29 | Download | Experimental | e4a29A1 | TIM beta/alpha-barrel | LigPlot |
4A2S | Download | Experimental | e4a2sA1 | TIM beta/alpha-barrel | LigPlot |