PDB ligand accession: XZZ
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: JTXAGHXRIBLWES-UHFFFAOYSA-N
SMILES: CC1=CC(=O)Oc2c1cc(c(c2)O)Cl
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 |
---|---|---|---|---|---|
4AU0 | Download | Experimental | e4au0A1 e4au0B1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |