Ligand name: benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
PDB ligand accession: 3TL
DrugBank: n/a
PubChem: 5481249
ChEMBL: CHEMBL449611
InChI Key: BJJPNOGMLLUCER-KUTQPOQPSA-N
SMILES: CC(C)C(C(=O)NC(Cc1ccccc1)C(C(C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)OCc3ccccc3)O)O)NC(=O)C(C)NC(=O)OCc4ccccc4

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 3TL

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P03367_3TL	P03367	Gag-Pol polyprotein (Pr160Gag-Pol)	n/a
2	Q903N5_3TL	Q903N5	Protease	n/a
3	P03366_3TL	P03366	Gag-Pol polyprotein (Pr160Gag-Pol)	n/a
4	P16088_3TL	P16088	Pol polyprotein [Cleaved	n/a
5	Q9E7M1_3TL	Q9E7M1	Gag-Pol polyprotein	n/a
6	Q6Q004_3TL	Q6Q004	Protease	n/a
7	Q8Q8V9_3TL	Q8Q8V9	Protease	n/a
8	Q7SRY5_3TL	Q7SRY5	Protease	n/a
9	Q90EA1_3TL	Q90EA1	Protease	n/a
10	Q6BB74_3TL	Q6BB74	Pol protein	n/a
11	P12499_3TL	P12499	Gag-Pol polyprotein (Pr160Gag-Pol)	n/a
12	Q72863_3TL	Q72863	Pol polyprotein	n/a