Ligand name: 2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline
PDB ligand accession: LQB
DrugBank: n/a
PubChem: 2905908
ChEMBL: CHEMBL5282599
InChI Key: PNNJMGGZMFGNDB-UHFFFAOYSA-N
SMILES: Cc1cc(n(n1)c2cc(ccc2[N+](=O)[O-])N3CCc4ccccc4C3)C
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 O75530

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5H14	Download	Experimental	e5h14A1 e5h14B1	beta-propeller-like beta-propeller-like	LigPlot