Ligand name: 3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE
PDB ligand accession: IBC
DrugBank: DB04152
PubChem: 5288598
ChEMBL: CHEMBL28472
InChI Key: HJEPOXZLPHUVFE-ZETCQYMHSA-N
SMILES: C1CC=C(c2c(onc2O)C1)CC(C(=O)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 IBC

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P22756_IBC	P22756	n/a	Ki(nM) = 2.57 EC50(nM) = 130.0
2	P42262_IBC	P42262	n/a
3	P19491_IBC	P19491	n/a	Ki(nM) = 175.0 EC50(nM) = 92000.0