Ligand name: (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one
PDB ligand accession: 970
DrugBank: DB11457
PubChem: 6758
ChEMBL: CHEMBL429023
InChI Key: JUVIOZPCNVVQFO-HBGVWJBISA-N
SMILES: CC(=C)C1Cc2c(ccc3c2OC4COc5cc(c(cc5C4C3=O)OC)OC)O1
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Isoflavonoids
      • Subclass: Rotenoids

List of PDB structures and/or AlphaFold models with target protein I3LK43

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7V33	Download	Experimental	e7v33C1	Flavodoxin-like	LigPlot
7W20	Download	Experimental	e7w20C1	Flavodoxin-like	LigPlot
7V31	Download	Experimental	e7v31C1	Flavodoxin-like	LigPlot
7W1T	Download	Experimental	e7w1tC1	Flavodoxin-like	LigPlot
7VBZ	Download	Experimental	e7vbzC1 e7vbzQ1 e7vbzQ2 e7vbzQ3	Flavodoxin-like FAD-linked reductases, C-terminal domain-like alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like	LigPlot
7W1V	Download	Experimental	e7w1vC1	Flavodoxin-like	LigPlot
7VYF	Download	Experimental	e7vyfC1 e7vyfQ1 e7vyfQ2 e7vyfQ3	Flavodoxin-like alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot
7W1Z	Download	Experimental	e7w1zC1	Flavodoxin-like	LigPlot
7W1U	Download	Experimental	e7w1uC1	Flavodoxin-like	LigPlot