Ligand name: PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER
PDB ligand accession: MTE
DrugBank: n/a
PubChem: 444331;5288852;135398581;
ChEMBL: n/a
InChI Key: HPEUEJRPDGMIMY-IFQPEPLCSA-N
SMILES: C(C1C(=C(C2C(O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pteridines and derivatives
      • Subclass: Pterins and derivatives

List of PDB structures and/or AlphaFold models with target protein Q39TV8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4Z3X	Download	Experimental	e4z3xA1 e4z3xA2 e4z3xB1 e4z3xB2 e4z3xC1 e4z3xC2 e4z3xD1 e4z3xD2	Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C	LigPlot
4Z40	Download	Experimental	e4z40A1 e4z40A2 e4z40B1 e4z40B2 e4z40C1 e4z40C2 e4z40D1 e4z40D2	Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C	LigPlot
4Z3W	Download	Experimental	e4z3wA1 e4z3wA2 e4z3wB1 e4z3wB2 e4z3wC1 e4z3wC2 e4z3wD1 e4z3wD2	Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C	LigPlot
4Z3Y	Download	Experimental	e4z3yA1 e4z3yA2 e4z3yB1 e4z3yB2 e4z3yC1 e4z3yC2 e4z3yD1 e4z3yD2	Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C	LigPlot
4Z3Z	Download	Experimental	e4z3zA1 e4z3zA2 e4z3zB1 e4z3zB2 e4z3zC1 e4z3zC2 e4z3zD1 e4z3zD2	Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C Aldehyde ferredoxin oxidoreductase, N-terminal domain Aldehyde ferredoxin oxidoreductase-C	LigPlot