PDB ligand accession: 113
DrugBank: DB02593
PubChem:
ChEMBL: n/a
InChI Key: RSFJMLCZHPZXCW-AANKLQPISA-N
SMILES: CC1CC2=C(C(O1)OC)C(=O)c3c(cc(c(c3C(=O)O)O)O)O2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzopyrans
- Subclass: 1-benzopyrans
- Class: Benzopyrans
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1HLK | Download | Experimental | e1hlkA1 e1hlkB1 | Metallo-hydrolase/oxidoreductase Metallo-hydrolase/oxidoreductase | LigPlot |
1KR3 | Download | Experimental | e1kr3A1 e1kr3B1 | Metallo-hydrolase/oxidoreductase Metallo-hydrolase/oxidoreductase | LigPlot |