Ligand name: N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-4-nitro-2-(trifluoromethyl)benzamide
PDB ligand accession: 836
DrugBank: n/a
PubChem: 126970683
ChEMBL: n/a
InChI Key: ZDEZQXNVPSUJHK-UHFFFAOYSA-N
SMILES: Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)[N+](=O)[O-]
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 Q99835

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5V56	Download	Experimental	e5v56A2 e5v56A3 e5v56B1 e5v56B3	Four-helical up-and-down bundle Family A G protein-coupled receptor-like Four-helical up-and-down bundle Family A G protein-coupled receptor-like	LigPlot
5V57	Download	Experimental	e5v57A2 e5v57A3 e5v57B1 e5v57B2	Family A G protein-coupled receptor-like Four-helical up-and-down bundle Four-helical up-and-down bundle Family A G protein-coupled receptor-like	LigPlot