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 B8LFD6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3I3E	Download	Experimental	e3i3eA4 e3i3eB3 e3i3eC2 e3i3eD2 e3i3eD5	Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel	LigPlot
3MV1	Download	Experimental	e3mv111 e3mv121 e3mv131 e3mv141 e3mv144 e3mv145	jelly-roll jelly-roll jelly-roll jelly-roll Glycosyl hydrolase domain-like TIM beta/alpha-barrel	LigPlot
3I3B	Download	Experimental	e3i3bA4 e3i3bB3 e3i3bB3 e3i3bB5 e3i3bC3 e3i3bC5 e3i3bD5	Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
3MUZ	Download	Experimental	e3muz13 e3muz14 e3muz23 e3muz25 e3muz33 e3muz45	Immunoglobulin-like beta-sandwich Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel	LigPlot
3MV0	Download	Experimental	e3mv012 e3mv045 e3mv023 e3mv033 e3mv044 e3mv043 e3mv045	Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel	LigPlot
3IAP	Download	Experimental	e3iapA2 e3iapB2 e3iapD2 e3iapC2 e3iapD3	Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich	LigPlot
3I3D	Download	Experimental	e3i3dA3 e3i3dA4 e3i3dB3 e3i3dB4 e3i3dC1 e3i3dD3 e3i3dD4	Immunoglobulin-like beta-sandwich Glycosyl hydrolase domain-like Immunoglobulin-like beta-sandwich Glycosyl hydrolase domain-like jelly-roll Immunoglobulin-like beta-sandwich Glycosyl hydrolase domain-like	LigPlot
3IAQ	Download	Experimental	e3iaqA2 e3iaqD5 e3iaqB4 e3iaqC4 e3iaqD4	Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel Glycosyl hydrolase domain-like Glycosyl hydrolase domain-like Glycosyl hydrolase domain-like	LigPlot