Ligand name: [3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]methyl 1~{H}-pyrazole-4-carboxylate
PDB ligand accession: JET
DrugBank: n/a
PubChem: 139030502
ChEMBL: CHEMBL4541236
InChI Key: HARZTHMZNXIIKQ-UHFFFAOYSA-N
SMILES: COC(=O)COc1cccc(c1)COC(=O)c2c[nH]nc2
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein B1MDI3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6QRG	Download	Experimental	e6qrgA1 e6qrgB1	alpha/beta knot alpha/beta knot	LigPlot