Ligand name: 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
PDB ligand accession: 7KA
DrugBank: n/a
PubChem: 70674592
ChEMBL: CHEMBL3901527
InChI Key: MDMKWYWCJZMADI-LBPRGKRZSA-N
SMILES: CC(C1=Nn2cccc2C(=O)N1c3ccccc3)Nc4c(c(ncn4)N)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolotriazines
      • Subclass: Pyrrolo[2,1-f][1,2,4]triazines

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
5M6U	Download	Experimental	e5m6uA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot