Ligand name: (1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PDB ligand accession: E3S
DrugBank: n/a
PubChem: 121316298
ChEMBL: CHEMBL4061503
InChI Key: GSZJCGDGBYIJKI-XMMPIXPASA-N
SMILES: CC(C)(C)c1ccc(cc1F)NC(=O)C2c3ccc(cc3CCN2C(=O)CC4=CC(=O)NO4)OC

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Tetrahydroisoquinolines
      • Subclass: None

List of proteins that are targets for E3S

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P51449_E3S	P51449	n/a