Ligand name: methyl N-[(2S)-1-[[(2S,3S,5S)-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-3-oxidanyl-6-phenyl-1-(4-pyridin-3-ylphenyl)hexan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate
PDB ligand accession: LK0
DrugBank: n/a
PubChem: 56594228
ChEMBL: CHEMBL1835485
InChI Key: FOEFFFBPEIGFEX-IJLINHMISA-N
SMILES: CC(C)(C)C(C(=O)NC(Cc1ccccc1)CC(C(Cc2ccc(cc2)c3cccnc3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC
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 Q9QIQ7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3S85	Download	Experimental	e3s85A1 e3s85B1 e3s85D1 e3s85C1 e3s85F1 e3s85E1 e3s85C1 e3s85G1 e3s85H1 e3s85I1 e3s85J1 e3s85G1 e3s85K1 e3s85L1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot