Ligand name: 2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S})-piperidin-3-yl]pyrimidine-5-carboxamide
PDB ligand accession: 6VR
DrugBank: n/a
PubChem: 59625584
ChEMBL: CHEMBL3961799
InChI Key: RRLGPXVRIYOXIU-KRWDZBQOSA-N
SMILES: CC(C)CN(C1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C(C)(C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine derivatives

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
5KOQ	Download	Experimental	e5koqA1 e5koqA2 e5koqB1 e5koqB2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot