Ligand name: [4R-(4ALPHA,5ALPHA,6ALPHA,7ALPHA)]-3,3'-{{TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-1H-BENZIMIDAZOL-2-YLBENZAMIDE]
PDB ligand accession: 146
DrugBank: DB02729
PubChem: 444672
ChEMBL: CHEMBL11266
InChI Key: UWSVAGUSMAEUKO-QHQGJXSCSA-N
SMILES: c1ccc(cc1)CC2C(C(C(N(C(=O)N2Cc3cccc(c3)C(=O)Nc4[nH]c5ccccc5n4)Cc6cccc(c6)C(=O)Nc7[nH]c8ccccc8n7)Cc9ccccc9)O)O
Drug action: n/a

ClassyFire chemical classification:

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

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
1BWB	Download	Experimental	e1bwbB1 e1bwbA1	cradle loop barrel cradle loop barrel	LigPlot
1QBT	Download	Experimental	e1qbtB1 e1qbtA1	cradle loop barrel cradle loop barrel	LigPlot