Ligand name: (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one
PDB ligand accession: B98
DrugBank: DB07431
PubChem: 45273683
ChEMBL: CHEMBL555205
InChI Key: TXYKBKYDFZQOCB-SSDOTTSWSA-N
SMILES: COc1ccc2c(c1)c3c(s2)C(=O)NC(CN3)CN
Drug action: n/a

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P49137

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3FYK	Download	Experimental	e3fykX2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot