Ligand name: (3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
PDB ligand accession: D4O
DrugBank: n/a
PubChem: 146018248
ChEMBL: n/a
InChI Key: ZGIJWPKFHHUCIH-MJVIPROJSA-N
SMILES: CC1CCCC(C1)CC2Cc3cc(cc(c3C(=O)O2)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein W7JP72

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6KA6	Download	Experimental	e6ka6A2 e6ka6B2 e6ka6C1 e6ka6D1	Class II aaRS and biotin synthetases Class II aaRS and biotin synthetases Class II aaRS and biotin synthetases Class II aaRS and biotin synthetases	LigPlot