Ligand name: 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE
PDB ligand accession: 5IG
DrugBank: DB07174
PubChem: 6914629
ChEMBL: CHEMBL400431
InChI Key: WPAPODFGOZXFLG-UHFFFAOYSA-N
SMILES: CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)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
2G1Y	Download	Experimental	e2g1yA2 e2g1yA3 e2g1yB2 e2g1yB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot