Ligand name: N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide
PDB ligand accession: YAM
DrugBank: n/a
PubChem: 11713159
ChEMBL: CHEMBL1084546
InChI Key: MZDKLVOWGIOKTN-UHFFFAOYSA-N
SMILES: CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indolines

List of PDB structures and/or AlphaFold models with target protein Q05397

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3BZ3	Download	Experimental	e3bz3A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot