Ligand name: 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3H)-one
PDB ligand accession: JE1
DrugBank: n/a
PubChem: 124150360
ChEMBL: CHEMBL4523033
InChI Key: OWJVXNYVTUXGIY-UHFFFAOYSA-N
SMILES: CC1(CCN(CC1)C2=NC=C(C(=O)N2)Sc3cccnc3C(F)(F)F)CN
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organosulfur compounds
    • Class: Thioethers
      • Subclass: Aryl thioethers

List of PDB structures and/or AlphaFold models with target protein Q06124

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6MD7	Download	Experimental	e6md7A1 e6md7A2 e6md7A3 e6md7B1 e6md7B2 e6md7B3	SH2 SH2 Flavodoxin-like SH2 SH2 Flavodoxin-like	LigPlot