Ligand name: 3[N-MORPHOLINO]PROPANE SULFONIC ACID
PDB ligand accession: MPO
DrugBank: DB03434
PubChem: 70807;2723950;
ChEMBL: CHEMBL1234443
InChI Key: DVLFYONBTKHTER-UHFFFAOYSA-N
SMILES: C1COCCN1CCCS(=O)(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Oxazinanes
      • Subclass: Morpholines

List of PDB structures and/or AlphaFold models with target protein O66841

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6HLM	Download	Experimental	e6hlmB3 e6hlmD3	Nqo1 FMN-binding domain-like Nqo1 FMN-binding domain-like	LigPlot
6HL3	Download	Experimental	e6hl3B1 e6hl3D2	Nqo1 FMN-binding domain-like Nqo1 FMN-binding domain-like	LigPlot
6HLA	Download	Experimental	e6hlaB2 e6hlaB3 e6hlaD3	Nqo1 FMN-binding domain-like beta-Grasp Nqo1 FMN-binding domain-like	LigPlot
6HLJ	Download	Experimental	e6hljB3 e6hljD1 e6hljD2	Nqo1 FMN-binding domain-like Nqo1 FMN-binding domain-like beta-Grasp	LigPlot