Ligand name: ALISKIREN
PDB ligand accession: C41
DrugBank: DB09026
PubChem: 5493444
ChEMBL: CHEMBL1639
InChI Key: UXOWGYHJODZGMF-QORCZRPOSA-N
SMILES: CC(C)C(Cc1ccc(c(c1)OCCCOC)OC)CC(C(CC(C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N

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 C41

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P00797_C41	P00797	inhibitor	IC50(nM) = 0.4