Ligand name: (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
PDB ligand accession: 553
DrugBank: DB07149
PubChem: 16757525
ChEMBL: CHEMBL524266
InChI Key: LCBAQTCTQXHTJG-ZETCQYMHSA-N
SMILES: c1cnc(nc1c2cc3c([nH]2)C(CNC3=O)CCF)N
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyridines
      • Subclass: None

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P49841

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3DU8	Download	Experimental	e3du8A1 e3du8B1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot