PDB ligand accession: G12
DrugBank: DB07802
PubChem:
ChEMBL:
InChI Key: MSOLROYRAHCJNK-UHFFFAOYSA-N
SMILES: CC1=C(C(=O)Oc2c1ccc(c2Br)O)Br
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Coumarins and derivatives
- Subclass: Hydroxycoumarins
- Class: Coumarins and derivatives
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2QC6 | Download | Experimental | e2qc6A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |