Ligand name: HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM
PDB ligand accession: MTW
DrugBank: DB08218
PubChem: n/a
ChEMBL: n/a
InChI Key: PLQVWKCQWFFUFJ-NMWGTECJSA-N
SMILES: c1cc(cc(c1)C2=NC(=Nc3cccc(c3)[N+](=O)[O-])N=CC2)Cn4cncn4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Nitrobenzenes

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P24941

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2C5X	Download	Experimental	e2c5xA1 e2c5xC1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2C5Y	Download	Experimental	e2c5yA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot