Ligand name: N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
PDB ligand accession: YY3
DrugBank: DB09330
PubChem: 71496458
ChEMBL: CHEMBL3353410
InChI Key: DUYJMQONPNNFPI-UHFFFAOYSA-N
SMILES: Cn1cc(c2c1cccc2)c3ccnc(n3)Nc4cc(c(cc4OC)N(C)CCN(C)C)NC(=O)C=C

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: N-alkylindoles

List of proteins that are targets for YY3

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P00533_YY3	P00533	inhibitor	Ki(nM) = 3.5 IC50(nM) = 0.002 EC50(nM) = 6.0