Ligand name: 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
PDB ligand accession: A3Y
DrugBank: n/a
PubChem: 129900197
ChEMBL: n/a
InChI Key: XNJVLRJGPUMHDH-AWEZNQCLSA-N
SMILES: c1c(c(c(nc1N2CCN(CC2)CCO)N3CCCC(C3)CO)C#N)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein P50053

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5WBR	Download	Experimental	e5wbrA1 e5wbrB1 e5wbrB1	Rossmann-like Rossmann-like Rossmann-like	LigPlot