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 Q9I4X2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6ET2	Download	Experimental	e6et2A1 e6et2A2 e6et2B1 e6et2C1 e6et2C2 e6et2D1 e6et2E2 e6et2E3 e6et2F1 e6et2G2 e6et2G3 e6et2H1 e6et2I1 e6et2I2 e6et2J1 e6et2K2 e6et2K3 e6et2L1 e6et2M1 e6et2M2 e6et2N1 e6et2O1 e6et2O2 e6et2P1	Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like	LigPlot