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 |
---|---|---|---|---|---|
8II2 | Download | Experimental | e8ii2A1 e8ii2B1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
7ACU | Download | Experimental | e7acuA1 e7acuB1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |