Ligand name: 3-(4-{2-[2-(2-BROMO-ACETYLAMINO)-ETHYLDISULFANYL]-ETHYLCARBAMOYL}-CYCLOHEXYLCARBAMOYL)-PYRAZINE-2-CARBOXYLIC ACID
PDB ligand accession: 964
DrugBank: DB02620
PubChem: n/a
ChEMBL: n/a
InChI Key: OMSKFAYIWROESZ-OKILXGFUSA-N
SMILES: CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)c2c(nccn2)C(=O)O
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrazines

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P18031

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1NWL	Download	Experimental	e1nwlA1	Flavodoxin-like	LigPlot