Ligand name: (3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{H}-pyrazole-4-carboxylate
PDB ligand accession: JDE
DrugBank: n/a
PubChem: 139030484
ChEMBL: CHEMBL4447182
InChI Key: JWEGKKOSKAIWMV-UHFFFAOYSA-N
SMILES: COc1cc(cc(c1)c2cccnc2)COC(=O)c3c[nH]nc3
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 B1MDI3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6QQQ	Download	Experimental	e6qqqA1 e6qqqB1	alpha/beta knot alpha/beta knot	LigPlot