Ligand name: (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate
PDB ligand accession: TSV
DrugBank: n/a
PubChem: 49766491
ChEMBL: n/a
InChI Key: YUWURHBDLJOUAP-JSZLBQEHSA-N
SMILES: CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3C1=O)OC(=O)n4cc5cccc(c5c4)F)C(=O)NS(=O)(=O)C6CC6
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
3SU0	Download	Experimental	e3su0A1	cradle loop barrel	LigPlot
3SU2	Download	Experimental	e3su2A1	cradle loop barrel	LigPlot
3M5L	Download	Experimental	e3m5lA1	cradle loop barrel	LigPlot
6C2N	Download	Experimental	e6c2nA1	cradle loop barrel	LigPlot
3SU1	Download	Experimental	e3su1A1	cradle loop barrel	LigPlot