Ligand name: N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide
PDB ligand accession: 3N6
DrugBank: DB04869
PubChem: 6918509
ChEMBL: CHEMBL207197
InChI Key: ITIXDWVDFFXNEG-JHOUSYSJSA-N
SMILES: c1ccc2c(c1)CN(C(=O)N2)C3CCN(CC3)C(=O)NC(Cc4cc(c(c(c4)Br)O)Br)C(=O)NC(CCCCN)C(=O)N5CCN(CC5)c6ccncc6

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of proteins that are targets for 3N6

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q16602_3N6	Q16602	antagonist
2	P06881_3N6	P06881	n/a
3	O60894_3N6	O60894	n/a
4	P0AEX9_3N6	P0AEX9	n/a