Ligand name: 1-AZEPAN-1-YL-2-PHENYL-2-(4-THIOXO-1,4-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-5-YL)ETHANONE ADDUCT
PDB ligand accession: TDT
DrugBank: DB02820
PubChem: 5289455;131704220;
ChEMBL: n/a
InChI Key: XHBACRZQFHLVAV-LFFSAXSQSA-L
SMILES: c1ccc(cc1)C(C(=O)N2CCCCCC2)N3C=Nc4c(cn(n4)C5C=CN(C=C5C(=O)N)C6C(C(C(O6)COP(=O)([O-])OP(=O)([O-])OCC7C(C(C(O7)n8cnc9c8ncnc9N)[O-])[O-])O)O)C3=S
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: (5'->5')-dinucleotides
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q99714

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1U7T	Download	Experimental	e1u7tA1 e1u7tC1 e1u7tD1	Rossmann-like Rossmann-like Rossmann-like	LigPlot