Ligand name: alisertib
PDB ligand accession: A5B
DrugBank: DB05220
PubChem: 24771867
ChEMBL: CHEMBL483158
InChI Key: ZLHFILGSQDJULK-UHFFFAOYSA-N
SMILES: COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzazepines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P29317

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5IA0	Download	Experimental	e5ia0A1 e5ia0B1 e5ia0C1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot