Ligand name: 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL
PDB ligand accession: XBJ
DrugBank: n/a
PubChem: 135564841
ChEMBL: CHEMBL1236782
InChI Key: HZASIAXCPXTISQ-NVXWUHKLSA-N
SMILES: CC(C)(C1CNCC1Nc2c3cc(c(cc3nc(n2)c4cc(ccc4O)F)OC)OC)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

List of PDB structures and/or AlphaFold models with target protein O96017

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2XBJ	Download	Experimental	e2xbjA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot