Ligand name: N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE
PDB ligand accession: 3IG
DrugBank: DB07059
PubChem: 6914627
ChEMBL: CHEMBL240355
InChI Key: GBXSOZDYCSBLQX-UHFFFAOYSA-N
SMILES: CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCNC(=O)C
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
2G1R	Download	Experimental	e2g1rA2 e2g1rA3 e2g1rB2 e2g1rB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot