Ligand name: (3S)-1-[2-(pyrido[2,3-b]pyrazin-7-ylsulfanyl)-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-amine
PDB ligand accession: MJU
DrugBank: n/a
PubChem: 72699174
ChEMBL: n/a
InChI Key: YQQNXOBXIZYKPR-LBPRGKRZSA-N
SMILES: c1ccc2c(c1)c3c([nH]2)nc(nc3N4CCC(C4)N)Sc5cc6c(nccn6)nc5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organosulfur compounds
    • Class: Thioethers
      • Subclass: Aryl thioethers

List of PDB structures and/or AlphaFold models with target protein Q839Z1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4KTN	Download	Experimental	e4ktnA1	ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like	LigPlot