Ligand name: [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
PDB ligand accession: GXO
DrugBank: n/a
PubChem: 71005224
ChEMBL: CHEMBL4787795
InChI Key: IJNUZTYJYYUXSD-SMNGPBTOSA-N
SMILES: CCC1CC(CCC=CC2CC2(NC(=O)C3CC(CN3C(=O)C1NC(=O)OC(C)(C)C(F)(F)F)Oc4c5cc(c(cc5ccn4)OC)F)C(=O)NS(=O)(=O)C6(CC6)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 A0A0B4WYC6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7D5L	Download	Experimental	e7d5lA1 e7d5lE1 e7d5lB1 e7d5lD1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot