Ligand name: DEBROMOHYMENIALDISINE
PDB ligand accession: DBQ
DrugBank: DB04367
PubChem: 5288032;135451156;
ChEMBL: CHEMBL255465
InChI Key: JYRJOQGKGMHTOO-VURMDHGXSA-N
SMILES: c1c[nH]c2c1C(=C3C(=O)NC(=N3)N)CCNC2=O
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrroloazepines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein O96017

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2CN8	Download	Experimental	e2cn8A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot