Ligand name: N~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide
PDB ligand accession: 91D
DrugBank: n/a
PubChem: 137348777
ChEMBL: n/a
InChI Key: KQSULURPARMUKT-UHFFFAOYSA-N
SMILES: CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4ccccc4F)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
5V9L	Download	Experimental	e5v9lA1 e5v9lB1 e5v9lC1	P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot