PDB ligand accession: R75
DrugBank: DB12319
PubChem:
ChEMBL:
InChI Key: WHQCHUCQKNIQEC-UHFFFAOYSA-N
SMILES: CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Carbonyl compounds
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
8K4H | Download | Experimental | e8k4hA1 e8k4hB1 | PDEase-like PDEase-like | LigPlot |