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 Q72EJ1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8BQH	Download	Experimental	e8bqhA1 e8bqhA2 e8bqhA3	Rossmann-like cradle loop barrel Rossmann-like	LigPlot
7Z5O	Download	Experimental	e7z5oAAA1 e7z5oAAA2 e7z5oAAA4	Rossmann-like Rossmann-like cradle loop barrel	LigPlot
8BQG	Download	Experimental	e8bqgA2 e8bqgA3 e8bqgA4	Rossmann-like Rossmann-like cradle loop barrel	LigPlot
8BQJ	Download	Experimental	e8bqjA1 e8bqjA2 e8bqjA3	cradle loop barrel Rossmann-like Rossmann-like	LigPlot
6SDR	Download	Experimental	e6sdrA1 e6sdrA3 e6sdrA4	cradle loop barrel Rossmann-like Rossmann-like	LigPlot
8BQK	Download	Experimental	e8bqkA1 e8bqkA3 e8bqkA4	cradle loop barrel Rossmann-like Rossmann-like	LigPlot
8CM4	Download	Experimental	e8cm4A2 e8cm4A3 e8cm4A4 e8cm4C1 e8cm4C2 e8cm4C4	Rossmann-like cradle loop barrel Rossmann-like Rossmann-like cradle loop barrel Rossmann-like	LigPlot
6SDV	Download	Experimental	e6sdvA1 e6sdvA2 e6sdvA3	cradle loop barrel Rossmann-like Rossmann-like	LigPlot
8CM5	Download	Experimental	e8cm5A2 e8cm5A3 e8cm5A4 e8cm5C1 e8cm5C3 e8cm5C4 e8cm5K2 e8cm5K3 e8cm5K4 e8cm5R1 e8cm5R2 e8cm5R3	Rossmann-like Rossmann-like cradle loop barrel Rossmann-like cradle loop barrel Rossmann-like Rossmann-like cradle loop barrel Rossmann-like Rossmann-like Rossmann-like cradle loop barrel	LigPlot
8CM7	Download	Experimental	e8cm7A1 e8cm7A2 e8cm7A4	Rossmann-like cradle loop barrel Rossmann-like	LigPlot
8BQI	Download	Experimental	e8bqiA2 e8bqiA3 e8bqiA4	Rossmann-like cradle loop barrel Rossmann-like	LigPlot
8BQL	Download	Experimental	e8bqlA1 e8bqlA3 e8bqlA4	Rossmann-like Rossmann-like cradle loop barrel	LigPlot
8CM6	Download	Experimental	e8cm6A2 e8cm6A3 e8cm6A4 e8cm6C1 e8cm6C3 e8cm6C4	Rossmann-like cradle loop barrel Rossmann-like Rossmann-like cradle loop barrel Rossmann-like	LigPlot