Ligand name: (4~{S})-4-[3-[(2,6-dimethoxyphenyl)methylcarbamoyl]-4-fluoranyl-phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide
PDB ligand accession: F0S
DrugBank: n/a
PubChem: 137349302
ChEMBL: n/a
InChI Key: KQJWWWZXJNOLQF-SANMLTNESA-N
SMILES: CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c(cccc3OC)OC)F)C(=O)Nc4ccc5c(c4)cn[nH]5
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P21146

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5HE2	Download	Experimental	e5he2A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot