PDB ligand accession: BHW
DrugBank: n/a
PubChem: 54675768;163186164;
ChEMBL:
InChI Key: WTIJXIZOODAMJT-DHFGXMAYSA-N
SMILES: Cc1ccc([nH]1)C(=O)OC2C(C(OC(C2OC)(C)C)Oc3ccc4c(c3C)OC(=O)C(=C4O)NC(=O)c5c[nH]c(c5C)C(=O)NC6=C(c7ccc(c(c7OC6=O)C)OC8C(C(C(C(O8)(C)C)OC)OC(=O)c9ccc([nH]9)C)O)O)O
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
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | Q5SHZ4_BHW | Q5SHZ4 | n/a | |
2 | P0AES6_BHW | P0AES6 | n/a |