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 G8QM55

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5E7O	Download	Experimental	e5e7oA1 e5e7oA2 e5e7oA3 e5e7oA4 e5e7oC1 e5e7oC2 e5e7oC3 e5e7oC4 e5e7oE1 e5e7oE2 e5e7oE3 e5e7oE4 e5e7oG1 e5e7oG2 e5e7oG3 e5e7oG4 e5e7oI1 e5e7oI2 e5e7oI3 e5e7oI4 e5e7oK1 e5e7oK2 e5e7oK3 e5e7oK4	Rossmann-like cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel cradle loop barrel Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like Rossmann-like 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 Rossmann-like cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1	LigPlot
5CHC	Download	Experimental	e5chcA1 e5chcA2 e5chcA3 e5chcA4 e5chcC1 e5chcC2 e5chcC3 e5chcC4 e5chcE1 e5chcE2 e5chcE3 e5chcE4	Rossmann-like cradle loop barrel Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like Rossmann-like cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like cradle loop barrel Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1	LigPlot
5CH7	Download	Experimental	e5ch7A1 e5ch7A2 e5ch7A3 e5ch7A4 e5ch7C1 e5ch7C2 e5ch7C3 e5ch7C4 e5ch7E1 e5ch7E2 e5ch7E3 e5ch7E4	Rossmann-like cradle loop barrel 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 Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1	LigPlot
4YDD	Download	Experimental	e4yddA1 e4yddA2 e4yddA3 e4yddA4 e4yddC1 e4yddC2 e4yddC3 e4yddC4 e4yddE1 e4yddE2 e4yddE3 e4yddE4	Rossmann-like cradle loop barrel 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 Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1	LigPlot