Ligand name: (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide
PDB ligand accession: SUE
DrugBank: DB11575
PubChem: 44603531
ChEMBL: CHEMBL2063090
InChI Key: OBMNJSNZOWALQB-NCQNOWPTSA-N
SMILES: CC(C)(C)C1C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCCC7CC7OC(=O)N1
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein A8DG50

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3SUF	Download	Experimental	e3sufB1 e3sufA1 e3sufB1 e3sufC1 e3sufD1 e3sufC1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
3SUG	Download	Experimental	e3sugA1	cradle loop barrel	LigPlot
3SUE	Download	Experimental	e3sueA1 e3sueB1 e3sueC1 e3sueD1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot
3SUD	Download	Experimental	e3sudA1 e3sudB1 e3sudC1 e3sudD1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot