Ligand name: (3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one
PDB ligand accession: OBQ
DrugBank: n/a
PubChem: 11338488
ChEMBL: CHEMBL376130
InChI Key: WPUKOXIOPURGHT-MSOLQXFVSA-N
SMILES: CN1CCc2cc3c(c(c2C1C4c5ccc(c(c5C(=O)O4)N)OC)OC)OCO3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Alkaloids and derivatives
    • Class: Phthalide isoquinolines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q6B856

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6Y6D	Download	Experimental	e6y6dA1 e6y6dA2 e6y6dB1 e6y6dB2 e6y6dC2 e6y6dD1 e6y6dD2	Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like Bacillus chorismate mutase-like Rossmann-like	LigPlot