Ligand name: N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide
PDB ligand accession: 2R8
DrugBank: n/a
PubChem: 46862685
ChEMBL: CHEMBL2403888
InChI Key: IYWRCNFZPNEADN-CXODAYGWSA-N
SMILES: CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5ccc(cc5ccn4)OC)NC(=O)OC(C)(C)C

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 2R8

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	A8DG50_2R8	A8DG50	n/a