Ligand name: 5-[AMINO(IMINO)METHYL]-2-[({[6-[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-1(2H)-YL]ACETYL}AMINO)METHYL]-N-PYRIDIN-4-YLBENZAMIDE
PDB ligand accession: PY3
DrugBank: n/a
PubChem: 5388938
ChEMBL: CHEMBL372240
InChI Key: HLQIVSDFLBJBKY-HXUWFJFHSA-N
SMILES: CCC(C)NC(=O)c1cc(cc(c1)N)C2=CN=C(C(=O)N2CC(=O)NCc3ccc(cc3C(=O)Nc4ccncc4)C(=N)N)NC(C)C

ClassyFire chemical classification:

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

List of proteins that are targets for PY3

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P08709_PY3	P08709	n/a