Ligand name: 6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]PYRIMIDINE-2,4-DIAMINE
PDB ligand accession: LIY
DrugBank: DB08099
PubChem: 11963546
ChEMBL: n/a
InChI Key: UOYVKYJWAXJTTE-NRFANRHFSA-N
SMILES: CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(CC3)c4ccccc4)CCCOC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Phenylquinolines

List of PDB structures and/or AlphaFold models with target protein P00797

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2IKU	Download	Experimental	e2ikuA2 e2ikuA3 e2ikuB2 e2ikuB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot