Ligand name: N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide
PDB ligand accession: N53
DrugBank: n/a
PubChem: 57523643
ChEMBL: CHEMBL2064557
InChI Key: VGRHRLOVUZTBHT-VWLOTQADSA-N
SMILES: CC1(c2c(c([nH]n2)NC(=O)c3cccc(c3)Oc4ccccc4)CN1C(=O)N5CCN(CC5Cc6ccccc6)C)C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein O96013

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4APP	Download	Experimental	e4appA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot