Ligand name: {(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-1-[(2S)-2-fluoropropanoyl]piperazin-2-yl}acetonitrile
PDB ligand accession: M1X
DrugBank: n/a
PubChem: 146020603
ChEMBL: n/a
InChI Key: BQFJNAAUAQEWHZ-XWGVYQGASA-N
SMILES: CC(C(=O)N1CCN(CC1CC#N)c2c3c(nc(n2)OCC4CCCN4C)CN(CC3)c5cccc6c5c(ccc6)Cl)F
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
6UT0	Download	Experimental	e6ut0A1 e6ut0B1 e6ut0C1 e6ut0D1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot