Ligand name: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
PDB ligand accession: MES
DrugBank: DB03814
PubChem: 78165;4478249;
ChEMBL: CHEMBL1234276
InChI Key: SXGZJKUKBWWHRA-UHFFFAOYSA-N
SMILES: C1COCC[NH+]1CCS(=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 A1BB97

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4FB1	Download	Experimental	e4fb1D1 e4fb1F1	beta-propeller-like beta-propeller-like	LigPlot
3SWS	Download	Experimental	e3swsD1	beta-propeller-like	LigPlot
3RN0	Download	Experimental	e3rn0F1	beta-propeller-like	LigPlot
4L3H	Download	Experimental	e4l3hD1 e4l3hF1	beta-propeller-like beta-propeller-like	LigPlot
4FA1	Download	Experimental	e4fa1F1	beta-propeller-like	LigPlot
4FAV	Download	Experimental	e4favD1 e4favF1	beta-propeller-like beta-propeller-like	LigPlot
4FAN	Download	Experimental	e4fanD1 e4fanF1	beta-propeller-like beta-propeller-like	LigPlot
3RMZ	Download	Experimental	e3rmzF1	beta-propeller-like	LigPlot
4L1Q	Download	Experimental	e4l1qD1 e4l1qF1	beta-propeller-like beta-propeller-like	LigPlot
4FA5	Download	Experimental	e4fa5D1 e4fa5F1	beta-propeller-like beta-propeller-like	LigPlot
3SVW	Download	Experimental	e3svwF1	beta-propeller-like	LigPlot
3SJL	Download	Experimental	e3sjlF1	beta-propeller-like	LigPlot
4O1Q	Download	Experimental	e4o1qD1 e4o1qF1	beta-propeller-like beta-propeller-like	LigPlot