Ligand name: [(7S)-6-(4-chlorophenyl)-3-(thiophen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
PDB ligand accession: 40K
DrugBank: n/a
PubChem: 9505483
ChEMBL: n/a
InChI Key: PIDZXRXAOSMZRQ-LBPRGKRZSA-N
SMILES: c1cc(sc1)c2nnc3n2N=C(C(S3)CC(=O)O)c4ccc(cc4)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organosulfur compounds
    • Class: Thioethers
      • Subclass: Aryl thioethers

List of PDB structures and/or AlphaFold models with target protein Q6NER4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4XGK	Download	Experimental	e4xgkA1 e4xgkA2 e4xgkB1 e4xgkB2	Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like	LigPlot