Ligand name: (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid
PDB ligand accession: KNW
DrugBank: n/a
PubChem: 145704683
ChEMBL: n/a
InChI Key: JCUVQOJHURMRKB-SANMLTNESA-N
SMILES: c1cc(c2c(c1)N(CC(O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3)OCCCCc4cc(ccc4Cl)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzoxazines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q9NS75

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6RZ7	Download	Experimental	e6rz7A1 e6rz7A2	Four-helical up-and-down bundle Family A G protein-coupled receptor-like	LigPlot
6RZ6	Download	Experimental	e6rz6A1	Family A G protein-coupled receptor-like	LigPlot