PDB ligand accession: CN2
DrugBank: DB07574
PubChem:
ChEMBL: n/a
InChI Key: TYDIWMTWTXFWSY-HNNXBMFYSA-N
SMILES: COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3C(CC2)NC(=O)CS)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 |
---|---|---|---|---|---|
3DU7 | Download | Experimental | e3du7A3 e3du7A4 e3du7B3 e3du7B4 e3du7C4 e3du7D3 e3du7D4 | Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like | LigPlot |