Ligand name: 3-nitropyridin-2-amine
PDB ligand accession: JBE
DrugBank: n/a
PubChem: 77887
ChEMBL: n/a
InChI Key: BPYHGTCRXDWOIQ-UHFFFAOYSA-N
SMILES: c1cc(c(nc1)N)[N+](=O)[O-]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic 1,3-dipolar compounds
    • Class: Allyl-type 1,3-dipolar organic compounds
      • Subclass: Organic nitro compounds

List of PDB structures and/or AlphaFold models with target protein B1MDI3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6QOM	Download	Experimental	e6qomA1	alpha/beta knot	LigPlot