Ligand name: 1-methylethyl 1-thio-beta-D-galactopyranoside
PDB ligand accession: IPT
DrugBank: DB01862
PubChem: 656894
ChEMBL: CHEMBL1233651
InChI Key: BPHPUYQFMNQIOC-NXRLNHOXSA-N
SMILES: CC(C)SC1C(C(C(C(O1)CO)O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbohydrates and carbohydrate conjugates

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
3I3D	Download	Experimental	e3i3dA2 e3i3dA3 e3i3dA5 e3i3dB1 e3i3dB4 e3i3dB5 e3i3dC1 e3i3dC4 e3i3dC5 e3i3dD2 e3i3dD3 e3i3dD5	Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel jelly-roll Glycosyl hydrolase domain-like TIM beta/alpha-barrel jelly-roll Glycosyl hydrolase domain-like TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel	LigPlot
3MUZ	Download	Experimental	e3muz12 e3muz13 e3muz15 e3muz22 e3muz42 e3muz12 e3muz32 e3muz42 e3muz43 e3muz45	Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich TIM beta/alpha-barrel	LigPlot