Ligand name: 6-fluoro-4-[(3aR,6aR)-hexahydropyrrolo[3,4-b]pyrrol-5(1H)-yl]-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine
PDB ligand accession: DOO
DrugBank: n/a
PubChem: 66560858
ChEMBL: CHEMBL4165664
InChI Key: ACMIJDVJWLMBCX-PXAZEXFGSA-N
SMILES: Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5CC6CCNC6C5
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 P0AES6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4KFG	Download	Experimental	e4kfgA1 e4kfgB1	ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like	LigPlot