Ligand name: methyl [(1S)-1-{[(1R,3S,4S)-3-hydroxy-4-{[(2S)-2-(3-{[6-(1-hydroxy-1-methylethyl)pyridin-2-yl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-3,3-dimethylbutanoyl]amino}-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate
PDB ligand accession: GGV
DrugBank: n/a
PubChem: 25920887
ChEMBL: n/a
InChI Key: DGOQHVJXKUNDDW-MTXKAQRHSA-N
SMILES: CC(C)(C)C(C(=O)NC(Cc1ccc(cc1)c2ccccn2)CC(C(Cc3ccccc3)NC(=O)C(C(C)(C)C)N4C=CN(C4=O)Cc5cccc(n5)C(C)(C)O)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 Q9Q2G8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3GGV	Download	Experimental	e3ggvB1 e3ggvA1	cradle loop barrel cradle loop barrel	LigPlot