Ligand name: 3-HYDROXY-3-METHYL-GLUTARIC ACID
PDB ligand accession: MAH
DrugBank: DB04377
PubChem: 1662
ChEMBL: CHEMBL50444
InChI Key: NPOAOTPXWNWTSH-UHFFFAOYSA-N
SMILES: CC(CC(=O)O)(CC(=O)O)O
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Fatty Acyls
      • Subclass: Fatty acids and conjugates

List of drug binding-associated PTMs

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
1DQ8	Download	Experimental	e1dq8B1 e1dq8B2 e1dq8A2 e1dq8A1 e1dq8B2 e1dq8A2 e1dq8C1 e1dq8D2 e1dq8C2	Alpha-beta plaits 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
1DQA	Download	Experimental	e1dqaA2 e1dqaB1 e1dqaB2 e1dqaA1 e1dqaA2 e1dqaB2 e1dqaC1 e1dqaC2 e1dqaD2 e1dqaD1 e1dqaC2 e1dqaD2	Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits 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