Ligand name: 2-methylcyclohexane-1,3-dione
PDB ligand accession: 70V
DrugBank: n/a
PubChem: 70945
ChEMBL: CHEMBL191688
InChI Key: VSGJHHIAMHUZKF-UHFFFAOYSA-N
SMILES: CC1C(=O)CCCC1=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbonyl compounds

List of PDB structures and/or AlphaFold models with target protein P42336

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5SWP	Download	Experimental	e5swpA5 e5swpB2 e5swpA3 e5swpA4 e5swpA5	Protein kinase/SAICAR synthase/ATP-grasp SH2 Repetitive alpha hairpins Immunoglobulin-like beta-sandwich Protein kinase/SAICAR synthase/ATP-grasp	LigPlot