Ligand name: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
PDB ligand accession: APC
DrugBank: DB02596
PubChem: 91557
ChEMBL: CHEMBL132722
InChI Key: CAWZRIXWFRFUQB-IOSLPCCCSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Purine nucleotides
      • Subclass: Purine ribonucleotides

List of PDB structures and/or AlphaFold models with target protein Q94M05

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1W48	Download	Experimental	e1w48A1 e1w48A1 e1w48B1 e1w48B1 e1w48C1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
4BLS	Download	Experimental	e4blsA1 e4blsA1 e4blsB1 e4blsB1 e4blsC1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
1W49	Download	Experimental	e1w49A1 e1w49A1 e1w49B1 e1w49C1 e1w49B1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
2VHC	Download	Experimental	e2vhcA1 e2vhcA1 e2vhcB1 e2vhcB1 e2vhcC1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
1W4A	Download	Experimental	e1w4aA1 e1w4aB1 e1w4aA1 e1w4aB1 e1w4aC1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
4BLT	Download	Experimental	e4bltA1 e4bltA1 e4bltB1 e4bltB1 e4bltC1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot