Ligand name: Simvastatin acid
PDB ligand accession: SIM
DrugBank: DB14714
PubChem: 64718
ChEMBL: CHEMBL1201391
InChI Key: XWLXKKNPFMNSFA-HGQWONQESA-N
SMILES: CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Hydroxy acids and derivatives
      • Subclass: Medium-chain hydroxy acids and derivatives

List of PDB structures and/or AlphaFold models with target protein P04035

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1HW9	Download	Experimental	e1hw9B1 e1hw9A2 e1hw9B2 e1hw9A1 e1hw9A2 e1hw9B2 e1hw9D1 e1hw9C2	Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits	LigPlot