PDB ligand accession: CBN
DrugBank: DB03966
PubChem:
ChEMBL:
InChI Key: FJAQNRBDVKIIKK-LFLQOBSNSA-N
SMILES: Cc1ccc([nH]1)C(=O)OC2C(C(OC(C2OC)(C)C)Oc3ccc4c(c3Cl)OC(=O)C(=C4O)NC(=O)c5ccc(c(c5)CC=C(C)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 |
---|---|---|---|---|---|
1KZN | Download | Experimental | e1kznA1 | ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like | LigPlot |