Ligand name: [(1aS,8S,8aR,8bS)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
PDB ligand accession: MQA
DrugBank: DB19369
PubChem: 19972
ChEMBL: CHEMBL298359
InChI Key: HYFMSAFINFJTFH-NGSRAFSJSA-N
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indolequinones

List of PDB structures and/or AlphaFold models with target protein Q9X5T6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3GXO	Download	Experimental	e3gxoA3 e3gxoD3 e3gxoC3 e3gxoB3	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot