Ligand name: [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE
PDB ligand accession: 216
DrugBank: DB06910
PubChem: 446158
ChEMBL: CHEMBL284314
InChI Key: IWJSQELMWLOYSO-LWSSLDFYSA-N
SMILES: C=CCN1C(C(C(C(N(C1=O)CC=C)Cc2ccccc2)O)O)Cc3ccccc3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazepanes
      • Subclass: 1,3-diazepanes

List of PDB structures and/or AlphaFold models with target protein P04585

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1HWR	Download	Experimental	e1hwrB1 e1hwrA1	cradle loop barrel cradle loop barrel	LigPlot