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 P81186

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2NAP	Download	Experimental	e2napA2 e2napA3 e2napA4 e2napA1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot
2JIO	Download	Experimental	e2jioA4 e2jioA3 e2jioA5 e2jioA1	Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like cradle loop barrel	LigPlot
2JIM	Download	Experimental	e2jimA2 e2jimA3 e2jimA4 e2jimA1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot
2JIQ	Download	Experimental	e2jiqA2 e2jiqA3 e2jiqA4 e2jiqA1	Formate dehydrogenase/DMSO reductase, domain 1 Rossmann-like Rossmann-like cradle loop barrel	LigPlot
2V3V	Download	Experimental	e2v3vA2 e2v3vA3 e2v3vA4 e2v3vA1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot
2V45	Download	Experimental	e2v45A2 e2v45A3 e2v45A4 e2v45A1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot
2JIP	Download	Experimental	e2jipA2 e2jipA3 e2jipA4 e2jipA1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot
2JIR	Download	Experimental	e2jirA2 e2jirA3 e2jirA4 e2jirA1	Rossmann-like Rossmann-like Formate dehydrogenase/DMSO reductase, domain 1 cradle loop barrel	LigPlot