Ligand name: 2-~{tert}-butyl-4-(3-methoxypropylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]pyrimidine-5-carboxamide
PDB ligand accession: 6VS
DrugBank: n/a
PubChem: 25242438
ChEMBL: CHEMBL3958809
InChI Key: ISBMTDVOSWIALV-RTWAWAEBSA-N
SMILES: CC(C)CN(C1CC(CNC1)C(=O)N2CCOCC2)C(=O)c3cnc(nc3NCCCOC)C(C)(C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein P00797

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5KOS	Download	Experimental	e5kosA1 e5kosA2 e5kosB1 e5kosB2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot