Ligand name: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
PDB ligand accession: PGD
DrugBank: n/a
PubChem: 4369050;5288789;135460995;
ChEMBL: n/a
InChI Key: SOFMTHSWCZNJTQ-ILXWUORBSA-N
SMILES: c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(=C(C5C(O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=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 Q52675

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1E60	Download	Experimental	e1e60A2 e1e60A3 e1e60A4 e1e60A1 e1e60C2 e1e60C3 e1e60C4 e1e60C1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot
4DMR	Download	Experimental	e4dmrA2 e4dmrA3 e4dmrA4 e4dmrA1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot
2DMR	Download	Experimental	e2dmrA2 e2dmrA3 e2dmrA4 e2dmrA1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot
1DMR	Download	Experimental	e1dmrA2 e1dmrA3 e1dmrA4 e1dmrA1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot
1E61	Download	Experimental	e1e61A2 e1e61A3 e1e61A4 e1e61A1 e1e61C2 e1e61C3 e1e61C4 e1e61C1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot
1H5N	Download	Experimental	e1h5nA2 e1h5nA3 e1h5nA4 e1h5nA1 e1h5nC2 e1h5nC3 e1h5nC4 e1h5nC1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot
3DMR	Download	Experimental	e3dmrA2 e3dmrA3 e3dmrA4 e3dmrA1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot
1E5V	Download	Experimental	e1e5vA2 e1e5vA3 e1e5vA4 e1e5vA1 e1e5vC2 e1e5vC3 e1e5vC4 e1e5vC1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot
1E18	Download	Experimental	e1e18A2 e1e18A3 e1e18A4 e1e18A1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot