Ligand name: 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol
PDB ligand accession: BM4
DrugBank: n/a
PubChem: 49866713
ChEMBL: n/a
InChI Key: ZZKZUUMHRSWLQQ-JXLNJXQWSA-N
SMILES: CCC1(CCCCN(C1)CCCCCCCCCN2CCCCC(C2)(CC)c3cccc(c3)O)c4cccc(c4)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azepanes
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P04058

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2W6C	Download	Experimental	e2w6cX1	alpha/beta-Hydrolases	LigPlot