Ligand name: 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
PDB ligand accession: P39
DrugBank: n/a
PubChem: 24764438
ChEMBL: CHEMBL408150
InChI Key: KYFKCMGDXJZZIZ-DEOSSOPVSA-N
SMILES: Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)NC(C)c4ccccc4)C)NC(=O)c5cccc(c5)N6CCOCC6
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3BV3	Download	Experimental	e3bv3A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot