Ligand name: (4~{S})-4-[4-fluoranyl-3-(isoquinolin-1-ylmethylcarbamoyl)phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide
PDB ligand accession: ZS2
DrugBank: n/a
PubChem: 118988618
ChEMBL: n/a
InChI Key: UGYAZGXSMRGKRD-MHZLTWQESA-N
SMILES: CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c4ccccc4ccn3)F)C(=O)Nc5ccc6c(c5)cn[nH]6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoquinolines and derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P25098

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HE1	Download	Experimental	e5he1A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot