Ligand name: 2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
PDB ligand accession: I3R
DrugBank: n/a
PubChem: 95789623
ChEMBL: CHEMBL5287918
InChI Key: DGVUQOIRXYABFV-QGZVFWFLSA-N
SMILES: c1ccc(cc1)C2=NN(C(C2)c3cccc4c3nccn4)C(=O)CCl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

List of PDB structures and/or AlphaFold models with target protein P0DTD1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8SK4	Download	Experimental	e8sk4A1 e8sk4A2	Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel	LigPlot