Ligand name: 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile
PDB ligand accession: HRE
DrugBank: n/a
PubChem: 89601515
ChEMBL: CHEMBL3691779
InChI Key: VFMRTUQQYDQOGC-QHCPKHFHSA-N
SMILES: CC(C)c1c2c(nn1c3cnc(nc3OC)N(C)C)C(=O)N(C2c4ccc(cc4)C#N)C5=CC(=CNC5=O)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyrazoles
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q00987

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6Q96	Download	Experimental	e6q96A1 e6q96B1	SWIB/MDM2 domain SWIB/MDM2 domain	LigPlot