Ligand name: (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one
PDB ligand accession: 91S
DrugBank: n/a
PubChem: 137181409
ChEMBL: n/a
InChI Key: ICXZXYUITXWHGD-UHFFFAOYSA-N
SMILES: CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(cccc4F)O)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein P01116

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5V9U	Download	Experimental	e5v9uA1 e5v9uB1	P-loop domains-like P-loop domains-like	LigPlot