PDB ligand accession: MUS
DrugBank: DB01768
PubChem:
ChEMBL:
InChI Key: KKDWIUJBUSOPGC-GKHMPSLRSA-N
SMILES: CC1=CC(=O)Oc2c1ccc(c2)OC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Coumarins and derivatives
- Subclass: Coumarin glycosides
- Class: Coumarins and derivatives
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1S0J | Download | Experimental | e1s0jA2 | beta-propeller-like | LigPlot |