Ligand name: (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
PDB ligand accession: H8O
DrugBank: n/a
PubChem: 3000516
ChEMBL: CHEMBL411685
InChI Key: XEEQGYMUWCZPDN-WFASDCNBSA-N
SMILES: c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)C(C3CCCCN3)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: 4-quinolinemethanols

List of PDB structures and/or AlphaFold models with target protein Q76NL8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7DIA	Download	Experimental	e7diaA2 e7diaA3	LuxS, MPP, ThrRS/AlaRS common domain LuxS, MPP, ThrRS/AlaRS common domain	LigPlot