Ligand name: (3R)-3-({2-benzyl-6-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]pyridin-3-yl}ethynyl)-1-azabicyclo[2.2.2]octan-3-ol
PDB ligand accession: E5S
DrugBank: n/a
PubChem: 44450555
ChEMBL: CHEMBL258717
InChI Key: NDEOTZXSBKCQLS-RMTZWNOUSA-N
SMILES: COC1CN(CC1O)c2ccc(c(n2)Cc3ccccc3)C#CC4(CN5CCC4CC5)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q4CWB4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3WCC	Download	Experimental	e3wccA1 e3wccB1 e3wccC1 e3wccD1	Terpenoid synthases Terpenoid synthases Terpenoid synthases Terpenoid synthases	LigPlot