PDB ligand accession: 06B
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: CUQANLQRQJHIQE-UHFFFAOYSA-N
SMILES: COc1ccc(c(c1C(=O)O)OC)Br
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4K4Q | Download | Experimental | e4k4qA1 e4k4qB1 | cradle loop barrel cradle loop barrel | LigPlot |