Ligand name: (5R)-2-[(2-chlorophenyl)sulfanyl]-5-[2,6-dichloro-3-(tetrahydro-2H-pyran-4-ylamino)phenyl]-3-hydroxycyclohex-2-en-1-one
PDB ligand accession: W13
DrugBank: n/a
PubChem: 126843268
ChEMBL: n/a
InChI Key: CJPAFXZVJQAZMQ-CYBMUJFWSA-N
SMILES: c1ccc(c(c1)SC2=C(CC(CC2=O)c3c(ccc(c3Cl)NC4CCOCC4)Cl)O)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Halobenzenes

List of PDB structures and/or AlphaFold models with target protein P00338

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4R69	Download	Experimental	e4r69A1 e4r69A2 e4r69B1 e4r69B2 e4r69C1 e4r69C2 e4r69D1 e4r69D2	Rossmann-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like	LigPlot