Ligand name: 8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)-6-METHOXY-2-NAPHTHYL]METHYL}-6-OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL-1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL 2-METHYLBUTANOATE
PDB ligand accession: AAY
DrugBank: DB03932
PubChem: 449169
ChEMBL: n/a
InChI Key: WPVRNXUYVXQXPY-YFAYRSKXSA-N
SMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)N3Cc4ccc5c(c4)ccc(c5CO)OC)O)C
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Naphthalenes
      • Subclass: None

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P20701

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1XDD	Download	Experimental	e1xddB1 e1xddA1	HAD domain-related HAD domain-related	LigPlot