Ligand name: 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid
PDB ligand accession: BUY
DrugBank: n/a
PubChem: 71550396
ChEMBL: CHEMBL3701219
InChI Key: XLVCNINDJUKQNE-FRHHVXPKSA-N
SMILES: c1ccc2c(c1)CCN(C2C(=O)Nc3ccc(cc3)C(=O)O)C(=O)C=Cc4cc(ccc4n5cnnn5)Cl

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of proteins that are targets for BUY

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P03951_BUY	P03951	n/a