Ligand name: (4S,7aR,9aR,10S,11E,18R)-6'-chloro-N-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide
PDB ligand accession: Q4S
DrugBank: n/a
PubChem: 145704705
ChEMBL: CHEMBL4528051
InChI Key: ODNXKGMGHYJKEY-FZXJUDQJSA-N
SMILES: CN1CCC=CC(C2CCC2CN3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Tetralins
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q07820

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6UDI	Download	Experimental	e6udiA1	Toxins' membrane translocation domains	LigPlot