Ligand name: (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide
PDB ligand accession: 5WR
DrugBank: n/a
PubChem: 119081684
ChEMBL: CHEMBL4453539
InChI Key: YXESXLYKZKCWFJ-LJQANCHMSA-N
SMILES: CC1CN(Cc2c1ccc(c2)C(=O)Nc3cc(cc(c3)C(F)(F)F)CN4CCN(CC4)C)c5cncnc5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Anilides

List of PDB structures and/or AlphaFold models with target protein Q08345

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5FDP	Download	Experimental	e5fdpA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot