Ligand name: methyl {2-[4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate
PDB ligand accession: 5H2
DrugBank: n/a
PubChem: 44242164
ChEMBL: CHEMBL3770332
InChI Key: IMSBGZSMSGCJBM-UHFFFAOYSA-N
SMILES: COC(=O)Nc1ccc-2c(c1)OCCc3c2sc(c3)c4nncn4c5ccccc5Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzoxepines
      • Subclass: Thienobenzoxepines

List of PDB structures and/or AlphaFold models with target protein P42336

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5DXH	Download	Experimental	e5dxhA1 e5dxhD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot