Ligand name: (2S,2'S)-N,N'-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE]
PDB ligand accession: AI
DrugBank: n/a
PubChem: 15942654
ChEMBL: CHEMBL407875
InChI Key: JQIFSYRTTKZQMY-UNHORJANSA-N
SMILES: CC(C)C(C(=O)NC(Cc1ccccc1)C(C(C(CC2CCCCC2)NC(=O)C(C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4

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 AI

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q9J2R0_AI	Q9J2R0	n/a