PDB ligand accession: CM3
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: KOYRLVBQHJNLQX-IFVHXUSFSA-N
SMILES: CC1c2c(ccc(c2F)O)OC(C1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCCC5
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Flavonoids
- Subclass: Hydroxyflavonoids
- Class: Flavonoids
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1YIN | Download | Experimental | e1yinA1 | Nuclear receptor ligand-binding domain | LigPlot |