Ligand name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
PDB ligand accession: AY6
DrugBank: DB06155
PubChem: 104850
ChEMBL: CHEMBL111
InChI Key: JZCPYUJPEARBJL-UHFFFAOYSA-N
SMILES: Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

List of PDB structures and/or AlphaFold models with target protein I7G2R2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6AJI	Download	Experimental	e6ajiA4 e6ajiA5	Multidrug efflux transporter AcrB transmembrane domain Multidrug efflux transporter AcrB transmembrane domain	LigPlot