Ligand name: (3~{S})-3-(cyclohexylmethyl)-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
PDB ligand accession: D4U
DrugBank: n/a
PubChem: 146018249
ChEMBL: n/a
InChI Key: DGZHGFFAXFRYBW-ZDUSSCGKSA-N
SMILES: c1c(cc(c2c1CC(OC2=O)CC3CCCCC3)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
6KAB	Download	Experimental	e6kabA1 e6kabB2 e6kabC1 e6kabD1	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