Ligand name: (4S,7aR,9aR,10S,11E,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione
PDB ligand accession: N0S
DrugBank: n/a
PubChem: 118910314
ChEMBL: CHEMBL4468645
InChI Key: BHVJUQVROJMZJB-MQTRKTCISA-N
SMILES: CC1CCC=CC(C2CCC2CN3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O
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
6OQC	Download	Experimental	e6oqcA1 e6oqcB1	Toxins' membrane translocation domains Toxins' membrane translocation domains	LigPlot