PDB ligand accession: FL9
DrugBank: DB07775
PubChem:
ChEMBL: n/a
InChI Key: BRPKBUNFOZFULQ-SGAXSIHGSA-N
SMILES: c1c(cc2c(c1O)C(=O)C(=Cc3cc(c(c(c3O)Br)O)Br)O2)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Aurone flavonoids
- Subclass: None
- Class: Aurone flavonoids
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1THC | Download | Experimental | e1thcA1 e1thcB1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |