Ligand name: 3,6-dimethyl-2~{H}-1,2,4-triazin-5-one
PDB ligand accession: I4S
DrugBank: n/a
PubChem: 535911;135789691;
ChEMBL: CHEMBL5179458
InChI Key: WZMOVTWDPULYIG-UHFFFAOYSA-N
SMILES: CC1=NNC(=NC1=O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Triazines
      • Subclass: 1,2,4-triazines

List of PDB structures and/or AlphaFold models with target protein Q9Y5A9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7R5L	Download	Experimental	e7r5lA1	cradle loop barrel	LigPlot