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: MGD
DrugBank: n/a
PubChem: 5326487;135398583;
ChEMBL: n/a
InChI Key: VQAGYJCYOLHZDH-ILXWUORBSA-N
SMILES: c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(=C(C5C(O4)NC6=C(N5)C(=O)NC(=N6)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: Molybdopterin dinucleotides
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q7SIF4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8CGS	Download	Experimental	e8cgsA1 e8cgsA2 e8cgsA3 e8cgsC1 e8cgsC2 e8cgsC4 e8cgsE1 e8cgsE2 e8cgsE3 e8cgsG1 e8cgsG3 e8cgsG4	cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot
1G8J	Download	Experimental	e1g8jA3 e1g8jA4 e1g8jA1 e1g8jC3 e1g8jC4 e1g8jC1	Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot
1G8K	Download	Experimental	e1g8kA3 e1g8kA4 e1g8kA2 e1g8kA1 e1g8kC3 e1g8kC4 e1g8kC1 e1g8kE3 e1g8kE4 e1g8kE1 e1g8kG3 e1g8kG4 e1g8kG1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot
8CFF	Download	Experimental	e8cffA1 e8cffA2 e8cffA3 e8cffC1 e8cffC2 e8cffC3 e8cffE1 e8cffE2 e8cffE4 e8cffG2 e8cffG3 e8cffG4	cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like Rossmann-like cradle loop barrel Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot