Ligand name: ~{N}4-(phenylmethyl)-~{N}4-[2-[3-(2-piperazin-1-ylpyrimidin-5-yl)phenyl]phenyl]pyrimidine-2,4-diamine
PDB ligand accession: JNI
DrugBank: n/a
PubChem: 124222736
ChEMBL: CHEMBL4060030
InChI Key: FRBABIFCTILEGV-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CN(c2ccccc2c3cccc(c3)c4cnc(nc4)N5CCNCC5)c6ccnc(n6)N

ClassyFire chemical classification:

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

List of proteins that are targets for JNI

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P01375_JNI	P01375	Tumor necrosis factor	n/a