Ligand name: 3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide
PDB ligand accession: CI7
DrugBank: n/a
PubChem: 25152467
ChEMBL: CHEMBL4871466
InChI Key: HJRIVXBUFBERIX-UHFFFAOYSA-N
SMILES: CS(=O)(=O)NC(=O)CCc1cn(nc1c2ccc(cc2)Cl)c3ccc(cc3)Br
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 A0A045H4M9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7SVT	Download	Experimental	e7svtA1 e7svtB1 e7svtH1 e7svtI1 e7svtO1 e7svtP1 e7svtV1 e7svtW1	Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like	LigPlot