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 Q72LA4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2VPX	Download	Experimental	e2vpxA2 e2vpxA3 e2vpxA4 e2vpxA1 e2vpxE2 e2vpxE3 e2vpxE4 e2vpxE1	Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like cradle loop barrel	LigPlot
2VPZ	Download	Experimental	e2vpzA2 e2vpzA3 e2vpzA4 e2vpzA1 e2vpzE2 e2vpzE3 e2vpzE4 e2vpzE1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like Rossmann-like cradle loop barrel	LigPlot
2VPW	Download	Experimental	e2vpwA3 e2vpwA4 e2vpwA5 e2vpwA2 e2vpwE2 e2vpwE3 e2vpwE4 e2vpwE1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like Rossmann-like cradle loop barrel	LigPlot
2VPY	Download	Experimental	e2vpyA2 e2vpyA3 e2vpyA4 e2vpyA1 e2vpyE2 e2vpyE3 e2vpyE4 e2vpyE1	Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like cradle loop barrel	LigPlot