Ligand name: 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
PDB ligand accession: 93U
DrugBank: n/a
PubChem: 3017161
ChEMBL: n/a
InChI Key: GROZWIBBDLLXKU-UHFFFAOYSA-N
SMILES: Cc1c(c(c(c(n1)C)C(=O)OCCN(C)Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Phenylpyridines

List of PDB structures and/or AlphaFold models with target protein Q96RI1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5YXJ	Download	Experimental	e5yxjA1 e5yxjB1	Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain	LigPlot