Ligand name: [(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{R})-6-methyl-6-oxidanyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] 4-cycloheptylpiperazine-1-carboxylate
PDB ligand accession: 9B0
DrugBank: DB12508
PubChem: 16202132
ChEMBL: CHEMBL4297278
InChI Key: MNOMBFWMICHMKG-MGYWSNOQSA-N
SMILES: CCC(C(C)C1C(O1)CC(C)(C=CC=C(C)C2C(C=CC(C(CCC(CC(=O)O2)O)(C)O)OC(=O)N3CCN(CC3)C4CCCCCC4)C)O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein O75533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7EVO	Download	Experimental	e7evo11 e7evo61	Repetitive alpha hairpins Glucocorticoid receptor-like	LigPlot
8HK1	Download	Experimental	e8hk111 e8hk161	Repetitive alpha hairpins Glucocorticoid receptor-like	LigPlot
5ZYA	Download	Experimental	e5zyaC1 e5zyaD1	Repetitive alpha hairpins Glucocorticoid receptor-like	LigPlot