Ligand name: 2-[(2~{S},3~{S},4~{R},4~{a}~{S},10~{a}~{S})-2-methyl-3,4-bis(oxidanyl)-3,4,4~{a},10~{a}-tetrahydro-2~{H}-pyrano[2,3-b][1,4]benzoxathiin-7-yl]-~{N}-(3-oxidanylpropyl)ethanamide
PDB ligand accession: QJB
DrugBank: n/a
PubChem: 154815669
ChEMBL: n/a
InChI Key: REDZBLYPLDKUEX-SSFHUKSJSA-N
SMILES: CC1C(C(C2C(O1)Oc3ccc(cc3S2)CC(=O)NCCCO)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organosulfur compounds
    • Class: Thioethers
      • Subclass: Aryl thioethers

List of PDB structures and/or AlphaFold models with target protein Q0B4G1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6ZFC	Download	Experimental	e6zfcA1 e6zfcB1 e6zfcB1 e6zfcC1 e6zfcA1 e6zfcC1 e6zfcD1 e6zfcE1 e6zfcE1 e6zfcF1 e6zfcF1	beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like	LigPlot