Ligand name: 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one
PDB ligand accession: 5V3
DrugBank: n/a
PubChem: 102515542;135567116;
ChEMBL: CHEMBL3775615
InChI Key: YIEUEKVBIVGYSC-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CNCc2c3c(ccn2)C(=O)N=CN3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridopyrimidines
      • Subclass: Pyrido[3,4-d]pyrimidines

List of PDB structures and/or AlphaFold models with target protein Q6B0I6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5F5C	Download	Experimental	e5f5cA1	jelly-roll	LigPlot