Ligand name: (4E,6E,8S,9R,10E,12R,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
PDB ligand accession: 8TO
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: NAWYKMWGHQGJBF-GXLGEIDKSA-N
SMILES: CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCCN(C)C)C)C)OC)OC(=O)N)C)C)O)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboximidic acids and derivatives
      • Subclass: Carboximidic acids

List of PDB structures and/or AlphaFold models with target protein P02829

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4ASB	Download	Experimental	e4asbA1	ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like	LigPlot