PDB ligand accession: 1Q9
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: WHEQZFWVEMEFGH-UHFFFAOYSA-N
SMILES: CCOc1c(cc(cc1CNc2[nH]nnn2)C)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Phenol ethers
- Subclass: None
- Class: Phenol ethers
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4KAC | Download | Experimental | e4kacA1 e4kacB1 | alpha/beta-Hydrolases alpha/beta-Hydrolases | LigPlot |
4KAJ | Download | Experimental | e4kajA1 | alpha/beta-Hydrolases | LigPlot |