Ligand name: (2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10R)-10-{(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undec-2-yl}-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid
PDB ligand accession: E7B
DrugBank: n/a
PubChem: 44451975
ChEMBL: CHEMBL406220
InChI Key: FLYBGKSOQRCWMB-SPVJCFRKSA-N
SMILES: CC1CCC2(CCC(C(O2)C(C)CCC(C(C)C(=O)CC(C(C(C(C)C)OC(=O)CC(C(=C(C)C(=O)O)C(=O)O)O)OC)O)O)C)OC1CCC(C)C(=O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Tricarboxylic acids and derivatives

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
3E7B	Download	Experimental	e3e7bA1 e3e7bB1	Carbon-nitrogen hydrolase-like Carbon-nitrogen hydrolase-like	LigPlot