Ligand name: 3-bromo-6-(4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1H)-one
PDB ligand accession: NY2
DrugBank: n/a
PubChem: 2978508
ChEMBL: n/a
InChI Key: GPUSMPJXAIFKFV-UHFFFAOYSA-N
SMILES: c1c(c(n[nH]1)C2=CN3C(=C(C(=O)N3)Br)N=C2)[N+](=O)[O-]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrazolopyrimidines
      • Subclass: Pyrazolo[1,5-a]pyrimidines

List of PDB structures and/or AlphaFold models with target protein A0A086IRG1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6C3U	Download	Experimental	e6c3uA1 e6c3uB1 e6c3uB1 e6c3uC2 e6c3uD2	Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase Glyoxalase/Bleomycin resistance protein/Dihydroxybiphenyl dioxygenase	LigPlot