Ligand name: 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid
PDB ligand accession: EZ9
DrugBank: n/a
PubChem: 146646648
ChEMBL: CHEMBL4792220
InChI Key: KAPAQIUVYZBYAT-UHFFFAOYSA-N
SMILES: CCNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)OCC(C)(C)C(=O)O)n5ccc(n5)C(F)(F)F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Pyridoindoles

List of PDB structures and/or AlphaFold models with target protein Q9I7C2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6M1S	Download	Experimental	e6m1sA1 e6m1sB1	ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like	LigPlot