Ligand name: (1R,3R,4S)-4-[({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)AMINO]CYCLOHEXANE-1,3-DICARBOXYLIC ACID
PDB ligand accession: 051
DrugBank: n/a
PubChem: 51371082
ChEMBL: n/a
InChI Key: NYXJFBFDAFPUOG-XANCMCCPSA-N
SMILES: c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)NC4CCC(CC4C(=O)O)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Naphthalenes
      • Subclass: Naphthalene sulfonic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q8X9Y9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2XPC	Download	Experimental	e2xpcA1 e2xpcA2 e2xpcA3	Rossmann-like P-loop domains-like MurD-like peptide ligases, peptide-binding domain	LigPlot