Ligand name: (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-(2-methylpropyl)phthalazin-2(1H)-yl]prop-2 -en-1-one
PDB ligand accession: 52I
DrugBank: n/a
PubChem: 137348307
ChEMBL: n/a
InChI Key: ZISYTWICFLBNJQ-JJNABOQBSA-N
SMILES: CC(C)CC1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Cinnamic acids and derivatives
      • Subclass: None

List of proteins that are targets for 52I

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q81R22_52I	Q81R22	n/a