Ligand name: (4~{a}~{S},8~{a}~{R})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
PDB ligand accession: 4I7
DrugBank: n/a
PubChem: 145706985
ChEMBL: n/a
InChI Key: BVADHKPPTNFKBH-LOSJGSFVSA-N
SMILES: COc1ccc(cc1OCc2ccccc2C(F)(F)F)C3=NN(C(=O)C4C3CC=CC4)C5CCN(CC5)c6c7c(ccs7)ncn6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Trifluoromethylbenzenes

List of PDB structures and/or AlphaFold models with target protein Q08499

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6IBF	Download	Experimental	e6ibfA1 e6ibfB1 e6ibfC1 e6ibfD1	PDEase-like PDEase-like PDEase-like PDEase-like	LigPlot