PDB ligand accession: U01
DrugBank: DB08662
PubChem:
ChEMBL: n/a
InChI Key: KGDWLSFLMSFPSU-INIZCTEOSA-N
SMILES: CC(C)C(c1ccc(cc1)Br)C2=C(c3ccccc3OC2=O)O
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 |
---|---|---|---|---|---|
1UPJ | Download | Experimental | e1upjA1 | cradle loop barrel | LigPlot |