Ligand name: 4-acetyl-1-(3-{4-amino-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)-3,3-dimethylpiperazin-2-one
PDB ligand accession: 9EM
DrugBank: n/a
PubChem: 127053611
ChEMBL: CHEMBL4059848
InChI Key: KSAKMNJFOKNIAA-UHFFFAOYSA-N
SMILES: CC(=O)N1CCN(C(=O)C1(C)C)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5CC(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 O00329

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5VLR	Download	Experimental	e5vlrA5	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot