Ligand name: 4-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine
PDB ligand accession: 920
DrugBank: n/a
PubChem: 66561983
ChEMBL: CHEMBL4745713
InChI Key: UYSFLJHCRMWPCF-CKNGIIGNSA-N
SMILES: Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5CC6C(CC6(C5)C)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

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
4KSG	Download	Experimental	e4ksgA2	ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like	LigPlot