Ligand name: (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[3-(dimethylamino)propyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
PDB ligand accession: D1S
DrugBank: n/a
PubChem: 10349069
ChEMBL: CHEMBL124840
InChI Key: UNPSMUMJWYZQHC-CYVBNFEDSA-N
SMILES: CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCCN(C)C)C)OC)OC(=O)N)C)C)O)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Macrolactams
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q4Q4I6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3Q5J	Download	Experimental	e3q5jA1	ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like	LigPlot