Ligand name: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)propyl]carbamate
PDB ligand accession: K2A
DrugBank: n/a
PubChem: 53308629
ChEMBL: CHEMBL4532385
InChI Key: ALWBGUNCNDFMFE-QKULBLGOSA-N
SMILES: CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)CO

ClassyFire chemical classification:

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

List of proteins that are targets for K2A

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	Q90K99_K2A	Q90K99	Pol polyprotein	n/a
2	P03367_K2A	P03367	Gag-Pol polyprotein (Pr160Gag-Pol)	n/a
3	Q8ULI9_K2A	Q8ULI9	Protease	n/a