Ligand name: 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1
PDB ligand accession: AFN
DrugBank: n/a
PubChem: 5287635
ChEMBL: n/a
InChI Key: GACWFTLPANAFAK-GVLSTKRJSA-N
SMILES: COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)C5C(COC5O2)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Coumarins and derivatives
      • Subclass: Furanocoumarins

List of PDB structures and/or AlphaFold models with target protein Q97W02

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3PW7	Download	Experimental	e3pw7A5 e3pw7A7 e3pw7E5 e3pw7E7	Alpha-beta plaits Hypothetical protein Ta1206-like Alpha-beta plaits Hypothetical protein Ta1206-like	LigPlot
3PW4	Download	Experimental	e3pw4A2	Reverse ferredoxin	LigPlot
3PW5	Download	Experimental	e3pw5A5 e3pw5A2	Alpha-beta plaits Reverse ferredoxin	LigPlot