Ligand name: 1-{4-[2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
PDB ligand accession: M1R
DrugBank: n/a
PubChem: 146020601
ChEMBL: n/a
InChI Key: PCPBPWDPZNCVFV-QHCPKHFHSA-N
SMILES: CCC(=O)N1CCN(CC1)c2c3c(nc(n2)OCC4CCCN4C)CN(CC3)c5cccc6c5cccc6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein P01116

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6USX	Download	Experimental	e6usxA1 e6usxB1	P-loop domains-like P-loop domains-like	LigPlot