Ligand name: [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-D IYL] BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE]
PDB ligand accession: XV6
DrugBank: DB02702
PubChem: 441046
ChEMBL: CHEMBL57375
InChI Key: JDALSSGOBMTZEP-NWJWHWDBSA-N
SMILES: c1ccc(cc1)CC2C(C(C(N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

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
1BV9	Download	Experimental	e1bv9B1 e1bv9A1	cradle loop barrel cradle loop barrel	LigPlot
1QBR	Download	Experimental	e1qbrA1 e1qbrB1	cradle loop barrel cradle loop barrel	LigPlot
1BWA	Download	Experimental	e1bwaA1 e1bwaB1	cradle loop barrel cradle loop barrel	LigPlot
1BV7	Download	Experimental	e1bv7B1 e1bv7A1	cradle loop barrel cradle loop barrel	LigPlot