Ligand name: N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide
PDB ligand accession: 2R9
DrugBank: DB11586
PubChem: 16076883
ChEMBL: CHEMBL2105735
InChI Key: XRWSZZJLZRKHHD-WVWIJVSJSA-N
SMILES: CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)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 2R9

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	A8DG50_2R9	A8DG50	n/a
2	C1KIK8_2R9	C1KIK8	n/a
3	X2G809_2R9	X2G809	n/a