Ligand name: N-[2-({2-AMINO-6-ETHYL-5-[4-(3-METHOXYPROPYL)-2,2-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL]PYRIMIDIN-4-YL}AMINO)ETHYL]NAPHTHALENE-2-SULFONAMIDE
PDB ligand accession: LIX
DrugBank: n/a
PubChem: 11963547
ChEMBL: CHEMBL1234021
InChI Key: RRWBDAPAGFVYPT-UHFFFAOYSA-N
SMILES: CCc1c(c(nc(n1)N)NCCNS(=O)(=O)c2ccc3ccccc3c2)c4ccc5c(c4)N(C(=O)C(O5)(C)C)CCCOC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Naphthalenes
      • Subclass: Naphthalene sulfonic acids and derivatives

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
2IL2	Download	Experimental	e2il2A2 e2il2A3 e2il2B2 e2il2B3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot