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 P0DTC1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7VH8	Download	Experimental	e7vh8A2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain	LigPlot
7NW2	Download	Experimental	e7nw2A1 e7nw2B2	cradle loop barrel cradle loop barrel	LigPlot
7Z4S	Download	Experimental	e7z4sA1 e7z4sA2 e7z4sB1	cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot
7TZJ	Download	Experimental	e7tzjA2 e7tzjB1	Cysteine proteinases-like Cysteine proteinases-like	LigPlot
7NUK	Download	Experimental	e7nukA1 e7nukA2 e7nukB2 e7nukB2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
7NTW	Download	Experimental	e7ntwA2	cradle loop barrel	LigPlot
8HHT	Download	Experimental	e8hhtA1 e8hhtA2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot
7NT3	Download	Experimental	e7nt3A1 e7nt3A2 e7nt3B1 e7nt3B1	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
7NTQ	Download	Experimental	e7ntqA1	cradle loop barrel	LigPlot
7DJR	Download	Experimental	e7djrA1	cradle loop barrel	LigPlot
7NT2	Download	Experimental	e7nt2A1 e7nt2A1 e7nt2B1	cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
7DK1	Download	Experimental	e7dk1A2 e7dk1A2 e7dk1B1 e7dk1B2	cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot
7P51	Download	Experimental	e7p51A1	cradle loop barrel	LigPlot
7NTV	Download	Experimental	e7ntvA1 e7ntvA2 e7ntvB2 e7ntvB2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
7NT1	Download	Experimental	e7nt1A2 e7nt1B1 e7nt1B2 e7nt1B1	cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot
7TVS	Download	Experimental	e7tvsA2	cradle loop barrel	LigPlot