PDB ligand accession: HER
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: BDZXSHDKBKYQKJ-UHFFFAOYSA-N
SMILES: COc1cc(c2c(c1)OC(=C(C2=O)O)c3cc(c(c(c3)O)O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Flavonoids
- Subclass: Flavones
- Class: Flavonoids
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7DPU | Download | Experimental | e7dpuA1 e7dpuA2 e7dpuB1 e7dpuB2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |