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 Q6VAL8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8CCQ	Download	Experimental	e8ccqA1 e8ccqA2 e8ccqA4 e8ccqC1 e8ccqC2 e8ccqC3 e8ccqE1 e8ccqE2 e8ccqE4 e8ccqG2 e8ccqG3 e8ccqG4	Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like cradle loop barrel Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like cradle loop barrel Formate dehydrogenase/DMSO reductase, domain 1	LigPlot
5NQD	Download	Experimental	e5nqdA2 e5nqdA3 e5nqdA4 e5nqdC1 e5nqdC2 e5nqdC3 e5nqdE1 e5nqdE3 e5nqdE4 e5nqdG1 e5nqdG2 e5nqdG3	cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1	LigPlot
4AAY	Download	Experimental	e4aayA2 e4aayA3 e4aayA4 e4aayC1 e4aayC3 e4aayC4 e4aayE1 e4aayE2 e4aayE3 e4aayG1 e4aayG2 e4aayG3	Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel cradle loop barrel Formate dehydrogenase/DMSO reductase, domain 1 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
8ED4	Download	Experimental	e8ed4A1 e8ed4A3 e8ed4A4 e8ed4C1 e8ed4C2 e8ed4C3 e8ed4E1 e8ed4E2 e8ed4E3 e8ed4G1 e8ed4G3 e8ed4G4	Rossmann-like cradle loop barrel Formate dehydrogenase/DMSO reductase, domain 1 Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like cradle loop barrel Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel Rossmann-like Rossmann-like cradle loop barrel Formate dehydrogenase/DMSO reductase, domain 1	LigPlot