Ligand name: (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE
PDB ligand accession: 4IG
DrugBank: DB07113
PubChem: 20843156
ChEMBL: n/a
InChI Key: KHZQOXQOUCGGGA-NRFANRHFSA-N
SMILES: CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)c4cc(cc(c4)F)F)CCCOC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzoxazines
      • Subclass: Benzoxazinones

List of PDB structures and/or AlphaFold models with target protein P00797

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2G1S	Download	Experimental	e2g1sA2 e2g1sA3 e2g1sB2 e2g1sB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot