Ligand name: 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID
PDB ligand accession: S1S
DrugBank: n/a
PubChem: 52945407
ChEMBL: n/a
InChI Key: FYIJOFSDJMOTGX-HGOOHLDYSA-N
SMILES: c1ccc2c(c1)cccc2CC3CC=CC(C(C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O

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 S1S

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	P62993_S1S	P62993	n/a