Ligand name: (3~{S})-3-[[(1~{S},3~{S})-3-methylcyclohexyl]methyl]-6,8-bis(oxidanyl)-3,4-dihydro-2~{H}-isoquinolin-1-one
PDB ligand accession: D4X
DrugBank: n/a
PubChem: 146018250
ChEMBL: n/a
InChI Key: YKYWGEWGZHSEGR-GVXVVHGQSA-N
SMILES: CC1CCCC(C1)CC2Cc3cc(cc(c3C(=O)N2)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: Isoquinolones 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
6KBF	Download	Experimental	e6kbfA1 e6kbfB2	Class II aaRS and biotin synthetases Class II aaRS and biotin synthetases	LigPlot