PDB ligand accession: LOC
DrugBank: DB01394
PubChem:
ChEMBL:
InChI Key: IAKHMKGGTNLKSZ-INIZCTEOSA-N
SMILES: CC(=O)NC1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Hydrocarbon derivatives
- Class: Tropones
- Subclass: None
- Class: Tropones
- Superclass: Hydrocarbon derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3E22 | Download | Experimental | e3e22A1 e3e22A2 e3e22B1 e3e22B2 e3e22C2 e3e22D1 e3e22D2 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |