Ligand name: DIMETHYL SULFOXIDE
PDB ligand accession: DMS
DrugBank: DB01093
PubChem: 679
ChEMBL: CHEMBL504
InChI Key: IAZDPXIOMUYVGZ-UHFFFAOYSA-N
SMILES: CS(=O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organosulfur compounds
    • Class: Sulfoxides
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P0C6U8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4OW0	Download	Experimental	e4ow0A2 e4ow0A1 e4ow0A2 e4ow0B1	Cysteine proteinases-like beta-Grasp Cysteine proteinases-like Cysteine proteinases-like	LigPlot
7RC1	Download	Experimental	e7rc1A1 e7rc1A2	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot
3TIU	Download	Experimental	e3tiuA1	cradle loop barrel	LigPlot
3V3M	Download	Experimental	e3v3mA1	cradle loop barrel	LigPlot
4OVZ	Download	Experimental	e4ovzA1 e4ovzB1 e4ovzB1	Cysteine proteinases-like Cysteine proteinases-like Cysteine proteinases-like	LigPlot
3SNC	Download	Experimental	e3sncA1	cradle loop barrel	LigPlot
6Y7M	Download	Experimental	e6y7mAAA1 e6y7mAAA2	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot
4MDS	Download	Experimental	e4mdsA1	cradle loop barrel	LigPlot