Ligand name: 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
PDB ligand accession: 287
DrugBank: n/a
PubChem: 10276213
ChEMBL: CHEMBL252535
InChI Key: STNJCYKOXYBBIA-KRWDZBQOSA-N
SMILES: Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)NC(C)c4ccccc4)C)C(=O)NOC
Drug action: n/a

ClassyFire chemical classification:

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

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
2RG6	Download	Experimental	e2rg6A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot