Ligand name: {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol
PDB ligand accession: 67S
DrugBank: n/a
PubChem: 91827457
ChEMBL: CHEMBL3814206
InChI Key: FPVIRRAMNBCEDK-KRWDZBQOSA-N
SMILES: CC(C)C1CN(CCN1c2ncc(c(n2)C(F)(F)F)CO)c3ccc(c(c3)S(=O)(=O)C)CO
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 P55055

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5I4V	Download	Experimental	e5i4vA1 e5i4vE1	Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain	LigPlot