Ligand name: N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine
PDB ligand accession: N47
DrugBank: n/a
PubChem: 132021720
ChEMBL: CHEMBL4759665
InChI Key: HWEQZXCORSHBDW-UHFFFAOYSA-N
SMILES: Cc1cc(nc(n1)Nc2ccc(c(c2)OCCCN3CCCC3)OC)NC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Aniline and substituted anilines

List of PDB structures and/or AlphaFold models with target protein Q96KQ7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7BTV	Download	Experimental	e7btvA2 e7btvB1	beta-clip beta-clip	LigPlot