Ligand name: (2R,4S,4aS)-4',6'-dihydroxy-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidin]-2'-one
PDB ligand accession: 53M
DrugBank: n/a
PubChem: 7298502
ChEMBL: CHEMBL1276314
InChI Key: DJZPHYIXNUOVJU-VYUIOLGVSA-N
SMILES: CC1CN2c3ccc(cc3CC4(C2C(O1)C)C(=NC(=O)N=C4O)O)[N+](=O)[O-]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Nitroquinolines and derivatives

List of PDB structures and/or AlphaFold models with target protein Q99XG5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5CDO	Download	Experimental	e5cdoA1 e5cdoC2 e5cdoB1 e5cdoR2 e5cdoT2 e5cdoU1	HTH HTH HAD domain-related HTH HTH HAD domain-related	LigPlot