Ligand name: 4-NITROPHENYL METHANETHIOL
PDB ligand accession: 4NM
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: OTHKGVFNUSHUQO-UHFFFAOYSA-O
SMILES: c1cc(ccc1CS)[N+](=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Nitrobenzenes

List of PDB structures and/or AlphaFold models with target protein O49235

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5AGY	Download	Experimental	e5agyA1 e5agyB2	Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot
2VO4	Download	Experimental	e2vo4A1 e2vo4A2 e2vo4B1 e2vo4B2	Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like	LigPlot