Ligand name: N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
PDB ligand accession: F80
DrugBank: n/a
PubChem: 154815704
ChEMBL: CHEMBL4741874
InChI Key: JOHUZOVWSNNWQZ-UHFFFAOYSA-N
SMILES: Cc1cc(nc(n1)Nc2ccc(c(c2)C3=CCNCCC3)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
7BUC	Download	Experimental	e7bucA1 e7bucB1	beta-clip beta-clip	LigPlot