Ligand name: (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide
PDB ligand accession: SU3
DrugBank: DB11929
PubChem: 24765256
ChEMBL: CHEMBL4525964
InChI Key: KUQWGLQLLVFLSM-ONAXAZCASA-N
SMILES: CCC1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)C3CC4CN3C(=O)C(NC(=O)OCC(CCCCc5cccc6c5CN(C6)C(=O)O4)(C)C)C(C)(C)C
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
3SU5	Download	Experimental	e3su5A1	cradle loop barrel	LigPlot
3SU4	Download	Experimental	e3su4B1 e3su4A1	cradle loop barrel cradle loop barrel	LigPlot
3SU3	Download	Experimental	e3su3A1	cradle loop barrel	LigPlot
3SU6	Download	Experimental	e3su6A1	cradle loop barrel	LigPlot