Ligand name: 7-(3-cyano-4-hydroxyphenyl)-N-[2-(morpholin-4-yl)ethyl]dibenzo[b,f]oxepine-10-carboxamide
PDB ligand accession: M3D
DrugBank: n/a
PubChem: 138115396
ChEMBL: n/a
InChI Key: WKDYAACRENBHRU-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C=C(c3ccc(cc3O2)c4ccc(c(c4)C#N)O)C(=O)NCCN5CCOCC5
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P06858

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6OB0	Download	Experimental	e6ob0A2 e6ob0B2 e6ob0A1 e6ob0A2 e6ob0B1 e6ob0C1 e6ob0D1 e6ob0C2 e6ob0D2	alpha/beta-Hydrolases jelly-roll jelly-roll alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases jelly-roll jelly-roll alpha/beta-Hydrolases	LigPlot