Ligand name: (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid
PDB ligand accession: BKM
DrugBank: n/a
PubChem: 90298318
ChEMBL: CHEMBL5184184
InChI Key: AQLTUWTUANKXRS-OXKGMMJMSA-N
SMILES: CCC(=CC(=O)CC(C)CC(C)CCC(C(C)C(=O)CC(C(C)C(C)OC(=O)CC(C(=C(C)C(=O)O)C(=O)O)O)O)O)C=C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Prenol lipids
      • Subclass: Sesquiterpenoids

List of PDB structures and/or AlphaFold models with target protein P62136

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6ALZ	Download	Experimental	e6alzA1 e6alzB1	Carbon-nitrogen hydrolase-like Carbon-nitrogen hydrolase-like	LigPlot