PDB ligand accession: A6V
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: IMAIQFBFQHDLHJ-GOSISDBHSA-N
SMILES: CC1=C(C(CCC1)(C)C)COc2cccc(c2)C(CCN)O
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 |
---|---|---|---|---|---|
4RSE | Download | Experimental | e4rseA1 e4rseB1 | beta-propeller-like beta-propeller-like | LigPlot |