BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Date of publication Date in BindingDB Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID PubChem SID ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence 1 PDB ID(s) of Target Chain 1 UniProt (SwissProt) Recommended Name of Target Chain 1 UniProt (SwissProt) Entry Name of Target Chain 1 UniProt (SwissProt) Primary ID of Target Chain 1 UniProt (SwissProt) Secondary ID(s) of Target Chain 1 UniProt (SwissProt) Alternative ID(s) of Target Chain 1 UniProt (TrEMBL) Submitted Name of Target Chain 1 UniProt (TrEMBL) Entry Name of Target Chain 1 UniProt (TrEMBL) Primary ID of Target Chain 1 UniProt (TrEMBL) Secondary ID(s) of Target Chain 1 UniProt (TrEMBL) Alternative ID(s) of Target Chain 1 BindingDB Target Chain Sequence 2 PDB ID(s) of Target Chain 2 UniProt (SwissProt) Recommended Name of Target Chain 2 UniProt (SwissProt) Entry Name of Target Chain 2 UniProt (SwissProt) Primary ID of Target Chain 2 UniProt (SwissProt) Secondary ID(s) of Target Chain 2 UniProt (SwissProt) Alternative ID(s) of Target Chain 2 UniProt (TrEMBL) Submitted Name of Target Chain 2 UniProt (TrEMBL) Entry Name of Target Chain 2 UniProt (TrEMBL) Primary ID of Target Chain 2 UniProt (TrEMBL) Secondary ID(s) of Target Chain 2 UniProt (TrEMBL) Alternative ID(s) of Target Chain 2 BindingDB Target Chain Sequence 3 PDB ID(s) of Target Chain 3 UniProt (SwissProt) Recommended Name of Target Chain 3 UniProt (SwissProt) Entry Name of Target Chain 3 UniProt (SwissProt) Primary ID of Target Chain 3 UniProt (SwissProt) Secondary ID(s) of Target Chain 3 UniProt (SwissProt) Alternative ID(s) of Target Chain 3 UniProt (TrEMBL) Submitted Name of Target Chain 3 UniProt (TrEMBL) Entry Name of Target Chain 3 UniProt (TrEMBL) Primary ID of Target Chain 3 UniProt (TrEMBL) Secondary ID(s) of Target Chain 3 UniProt (TrEMBL) Alternative ID(s) of Target Chain 3 BindingDB Target Chain Sequence 4 PDB ID(s) of Target Chain 4 UniProt (SwissProt) Recommended Name of Target Chain 4 UniProt (SwissProt) Entry Name of Target Chain 4 UniProt (SwissProt) Primary ID of Target Chain 4 UniProt (SwissProt) Secondary ID(s) of Target Chain 4 UniProt (SwissProt) Alternative ID(s) of Target Chain 4 UniProt (TrEMBL) Submitted Name of Target Chain 4 UniProt (TrEMBL) Entry Name of Target Chain 4 UniProt (TrEMBL) Primary ID of Target Chain 4 UniProt (TrEMBL) Secondary ID(s) of Target Chain 4 UniProt (TrEMBL) Alternative ID(s) of Target Chain 4 BindingDB Target Chain Sequence 5 PDB ID(s) of Target Chain 5 UniProt (SwissProt) Recommended Name of Target Chain 5 UniProt (SwissProt) Entry Name of Target Chain 5 UniProt (SwissProt) Primary ID of Target Chain 5 UniProt (SwissProt) Secondary ID(s) of Target Chain 5 UniProt (SwissProt) Alternative ID(s) of Target Chain 5 UniProt (TrEMBL) Submitted Name of Target Chain 5 UniProt (TrEMBL) Entry Name of Target Chain 5 UniProt (TrEMBL) Primary ID of Target Chain 5 UniProt (TrEMBL) Secondary ID(s) of Target Chain 5 UniProt (TrEMBL) Alternative ID(s) of Target Chain 5 BindingDB Target Chain Sequence 6 PDB ID(s) of Target Chain 6 UniProt (SwissProt) Recommended Name of Target Chain 6 UniProt (SwissProt) Entry Name of Target Chain 6 UniProt (SwissProt) Primary ID of Target Chain 6 UniProt (SwissProt) Secondary ID(s) of Target Chain 6 UniProt (SwissProt) Alternative ID(s) of Target Chain 6 UniProt (TrEMBL) Submitted Name of Target Chain 6 UniProt (TrEMBL) Entry Name of Target Chain 6 UniProt (TrEMBL) Primary ID of Target Chain 6 UniProt (TrEMBL) Secondary ID(s) of Target Chain 6 UniProt (TrEMBL) Alternative ID(s) of Target Chain 6 BindingDB Target Chain Sequence 7 PDB ID(s) of Target Chain 7 UniProt (SwissProt) Recommended Name of Target Chain 7 UniProt (SwissProt) Entry Name of Target Chain 7 UniProt (SwissProt) Primary ID of Target Chain 7 UniProt (SwissProt) Secondary ID(s) of Target Chain 7 UniProt (SwissProt) Alternative ID(s) of Target Chain 7 UniProt (TrEMBL) Submitted Name of Target Chain 7 UniProt (TrEMBL) Entry Name of Target Chain 7 UniProt (TrEMBL) Primary ID of Target Chain 7 UniProt (TrEMBL) Secondary ID(s) of Target Chain 7 UniProt (TrEMBL) Alternative ID(s) of Target Chain 7 BindingDB Target Chain Sequence 8 PDB ID(s) of Target Chain 8 UniProt (SwissProt) Recommended Name of Target Chain 8 UniProt (SwissProt) Entry Name of Target Chain 8 UniProt (SwissProt) Primary ID of Target Chain 8 UniProt (SwissProt) Secondary ID(s) of Target Chain 8 UniProt (SwissProt) Alternative ID(s) of Target Chain 8 UniProt (TrEMBL) Submitted Name of Target Chain 8 UniProt (TrEMBL) Entry Name of Target Chain 8 UniProt (TrEMBL) Primary ID of Target Chain 8 UniProt (TrEMBL) Secondary ID(s) of Target Chain 8 UniProt (TrEMBL) Alternative ID(s) of Target Chain 8 BindingDB Target Chain Sequence 9 PDB ID(s) of Target Chain 9 UniProt (SwissProt) Recommended Name of Target Chain 9 UniProt (SwissProt) Entry Name of Target Chain 9 UniProt (SwissProt) Primary ID of Target Chain 9 UniProt (SwissProt) Secondary ID(s) of Target Chain 9 UniProt (SwissProt) Alternative ID(s) of Target Chain 9 UniProt (TrEMBL) Submitted Name of Target Chain 9 UniProt (TrEMBL) Entry Name of Target Chain 9 UniProt (TrEMBL) Primary ID of Target Chain 9 UniProt (TrEMBL) Secondary ID(s) of Target Chain 9 UniProt (TrEMBL) Alternative ID(s) of Target Chain 9 BindingDB Target Chain Sequence 10 PDB ID(s) of Target Chain 10 UniProt (SwissProt) Recommended Name of Target Chain 10 UniProt (SwissProt) Entry Name of Target Chain 10 UniProt (SwissProt) Primary ID of Target Chain 10 UniProt (SwissProt) Secondary ID(s) of Target Chain 10 UniProt (SwissProt) Alternative ID(s) of Target Chain 10 UniProt (TrEMBL) Submitted Name of Target Chain 10 UniProt (TrEMBL) Entry Name of Target Chain 10 UniProt (TrEMBL) Primary ID of Target Chain 10 UniProt (TrEMBL) Secondary ID(s) of Target Chain 10 UniProt (TrEMBL) Alternative ID(s) of Target Chain 10 BindingDB Target Chain Sequence 11 PDB ID(s) of Target Chain 11 UniProt (SwissProt) Recommended Name of Target Chain 11 UniProt (SwissProt) Entry Name of Target Chain 11 UniProt (SwissProt) Primary ID of Target Chain 11 UniProt (SwissProt) Secondary ID(s) of Target Chain 11 UniProt (SwissProt) Alternative ID(s) of Target Chain 11 UniProt (TrEMBL) Submitted Name of Target Chain 11 UniProt (TrEMBL) Entry Name of Target Chain 11 UniProt (TrEMBL) Primary ID of Target Chain 11 UniProt (TrEMBL) Secondary ID(s) of Target Chain 11 UniProt (TrEMBL) Alternative ID(s) of Target Chain 11 BindingDB Target Chain Sequence 12 PDB ID(s) of Target Chain 12 UniProt (SwissProt) Recommended Name of Target Chain 12 UniProt (SwissProt) Entry Name of Target Chain 12 UniProt (SwissProt) Primary ID of Target Chain 12 UniProt (SwissProt) Secondary ID(s) of Target Chain 12 UniProt (SwissProt) Alternative ID(s) of Target Chain 12 UniProt (TrEMBL) Submitted Name of Target Chain 12 UniProt (TrEMBL) Entry Name of Target Chain 12 UniProt (TrEMBL) Primary ID of Target Chain 12 UniProt (TrEMBL) Secondary ID(s) of Target Chain 12 UniProt (TrEMBL) Alternative ID(s) of Target Chain 12 BindingDB Target Chain Sequence 13 PDB ID(s) of Target Chain 13 UniProt (SwissProt) Recommended Name of Target Chain 13 UniProt (SwissProt) Entry Name of Target Chain 13 UniProt (SwissProt) Primary ID of Target Chain 13 UniProt (SwissProt) Secondary ID(s) of Target Chain 13 UniProt (SwissProt) Alternative ID(s) of Target Chain 13 UniProt (TrEMBL) Submitted Name of Target Chain 13 UniProt (TrEMBL) Entry Name of Target Chain 13 UniProt (TrEMBL) Primary ID of Target Chain 13 UniProt (TrEMBL) Secondary ID(s) of Target Chain 13 UniProt (TrEMBL) Alternative ID(s) of Target Chain 13 BindingDB Target Chain Sequence 14 PDB ID(s) of Target Chain 14 UniProt (SwissProt) Recommended Name of Target Chain 14 UniProt (SwissProt) Entry Name of Target Chain 14 UniProt (SwissProt) Primary ID of Target Chain 14 UniProt (SwissProt) Secondary ID(s) of Target Chain 14 UniProt (SwissProt) Alternative ID(s) of Target Chain 14 UniProt (TrEMBL) Submitted Name of Target Chain 14 UniProt (TrEMBL) Entry Name of Target Chain 14 UniProt (TrEMBL) Primary ID of Target Chain 14 UniProt (TrEMBL) Secondary ID(s) of Target Chain 14 UniProt (TrEMBL) Alternative ID(s) of Target Chain 14 BindingDB Target Chain Sequence 15 PDB ID(s) of Target Chain 15 UniProt (SwissProt) Recommended Name of Target Chain 15 UniProt (SwissProt) Entry Name of Target Chain 15 UniProt (SwissProt) Primary ID of Target Chain 15 UniProt (SwissProt) Secondary ID(s) of Target Chain 15 UniProt (SwissProt) Alternative ID(s) of Target Chain 15 UniProt (TrEMBL) Submitted Name of Target Chain 15 UniProt (TrEMBL) Entry Name of Target Chain 15 UniProt (TrEMBL) Primary ID of Target Chain 15 UniProt (TrEMBL) Secondary ID(s) of Target Chain 15 UniProt (TrEMBL) Alternative ID(s) of Target Chain 15 BindingDB Target Chain Sequence 16 PDB ID(s) of Target Chain 16 UniProt (SwissProt) Recommended Name of Target Chain 16 UniProt (SwissProt) Entry Name of Target Chain 16 UniProt (SwissProt) Primary ID of Target Chain 16 UniProt (SwissProt) Secondary ID(s) of Target Chain 16 UniProt (SwissProt) Alternative ID(s) of Target Chain 16 UniProt (TrEMBL) Submitted Name of Target Chain 16 UniProt (TrEMBL) Entry Name of Target Chain 16 UniProt (TrEMBL) Primary ID of Target Chain 16 UniProt (TrEMBL) Secondary ID(s) of Target Chain 16 UniProt (TrEMBL) Alternative ID(s) of Target Chain 16 BindingDB Target Chain Sequence 17 PDB ID(s) of Target Chain 17 UniProt (SwissProt) Recommended Name of Target Chain 17 UniProt (SwissProt) Entry Name of Target Chain 17 UniProt (SwissProt) Primary ID of Target Chain 17 UniProt (SwissProt) Secondary ID(s) of Target Chain 17 UniProt (SwissProt) Alternative ID(s) of Target Chain 17 UniProt (TrEMBL) Submitted Name of Target Chain 17 UniProt (TrEMBL) Entry Name of Target Chain 17 UniProt (TrEMBL) Primary ID of Target Chain 17 UniProt (TrEMBL) Secondary ID(s) of Target Chain 17 UniProt (TrEMBL) Alternative ID(s) of Target Chain 17 BindingDB Target Chain Sequence 18 PDB ID(s) of Target Chain 18 UniProt (SwissProt) Recommended Name of Target Chain 18 UniProt (SwissProt) Entry Name of Target Chain 18 UniProt (SwissProt) Primary ID of Target Chain 18 UniProt (SwissProt) Secondary ID(s) of Target Chain 18 UniProt (SwissProt) Alternative ID(s) of Target Chain 18 UniProt (TrEMBL) Submitted Name of Target Chain 18 UniProt (TrEMBL) Entry Name of Target Chain 18 UniProt (TrEMBL) Primary ID of Target Chain 18 UniProt (TrEMBL) Secondary ID(s) of Target Chain 18 UniProt (TrEMBL) Alternative ID(s) of Target Chain 18 BindingDB Target Chain Sequence 19 PDB ID(s) of Target Chain 19 UniProt (SwissProt) Recommended Name of Target Chain 19 UniProt (SwissProt) Entry Name of Target Chain 19 UniProt (SwissProt) Primary ID of Target Chain 19 UniProt (SwissProt) Secondary ID(s) of Target Chain 19 UniProt (SwissProt) Alternative ID(s) of Target Chain 19 UniProt (TrEMBL) Submitted Name of Target Chain 19 UniProt (TrEMBL) Entry Name of Target Chain 19 UniProt (TrEMBL) Primary ID of Target Chain 19 UniProt (TrEMBL) Secondary ID(s) of Target Chain 19 UniProt (TrEMBL) Alternative ID(s) of Target Chain 19 BindingDB Target Chain Sequence 20 PDB ID(s) of Target Chain 20 UniProt (SwissProt) Recommended Name of Target Chain 20 UniProt (SwissProt) Entry Name of Target Chain 20 UniProt (SwissProt) Primary ID of Target Chain 20 UniProt (SwissProt) Secondary ID(s) of Target Chain 20 UniProt (SwissProt) Alternative ID(s) of Target Chain 20 UniProt (TrEMBL) Submitted Name of Target Chain 20 UniProt (TrEMBL) Entry Name of Target Chain 20 UniProt (TrEMBL) Primary ID of Target Chain 20 UniProt (TrEMBL) Secondary ID(s) of Target Chain 20 UniProt (TrEMBL) Alternative ID(s) of Target Chain 20 BindingDB Target Chain Sequence 21 PDB ID(s) of Target Chain 21 UniProt (SwissProt) Recommended Name of Target Chain 21 UniProt (SwissProt) Entry Name of Target Chain 21 UniProt (SwissProt) Primary ID of Target Chain 21 UniProt (SwissProt) Secondary ID(s) of Target Chain 21 UniProt (SwissProt) Alternative ID(s) of Target Chain 21 UniProt (TrEMBL) Submitted Name of Target Chain 21 UniProt (TrEMBL) Entry Name of Target Chain 21 UniProt (TrEMBL) Primary ID of Target Chain 21 UniProt (TrEMBL) Secondary ID(s) of Target Chain 21 UniProt (TrEMBL) Alternative ID(s) of Target Chain 21 BindingDB Target Chain Sequence 22 PDB ID(s) of Target Chain 22 UniProt (SwissProt) Recommended Name of Target Chain 22 UniProt (SwissProt) Entry Name of Target Chain 22 UniProt (SwissProt) Primary ID of Target Chain 22 UniProt (SwissProt) Secondary ID(s) of Target Chain 22 UniProt (SwissProt) Alternative ID(s) of Target Chain 22 UniProt (TrEMBL) Submitted Name of Target Chain 22 UniProt (TrEMBL) Entry Name of Target Chain 22 UniProt (TrEMBL) Primary ID of Target Chain 22 UniProt (TrEMBL) Secondary ID(s) of Target Chain 22 UniProt (TrEMBL) Alternative ID(s) of Target Chain 22 BindingDB Target Chain Sequence 23 PDB ID(s) of Target Chain 23 UniProt (SwissProt) Recommended Name of Target Chain 23 UniProt (SwissProt) Entry Name of Target Chain 23 UniProt (SwissProt) Primary ID of Target Chain 23 UniProt (SwissProt) Secondary ID(s) of Target Chain 23 UniProt (SwissProt) Alternative ID(s) of Target Chain 23 UniProt (TrEMBL) Submitted Name of Target Chain 23 UniProt (TrEMBL) Entry Name of Target Chain 23 UniProt (TrEMBL) Primary ID of Target Chain 23 UniProt (TrEMBL) Secondary ID(s) of Target Chain 23 UniProt (TrEMBL) Alternative ID(s) of Target Chain 23 BindingDB Target Chain Sequence 24 PDB ID(s) of Target Chain 24 UniProt (SwissProt) Recommended Name of Target Chain 24 UniProt (SwissProt) Entry Name of Target Chain 24 UniProt (SwissProt) Primary ID of Target Chain 24 UniProt (SwissProt) Secondary ID(s) of Target Chain 24 UniProt (SwissProt) Alternative ID(s) of Target Chain 24 UniProt (TrEMBL) Submitted Name of Target Chain 24 UniProt (TrEMBL) Entry Name of Target Chain 24 UniProt (TrEMBL) Primary ID of Target Chain 24 UniProt (TrEMBL) Secondary ID(s) of Target Chain 24 UniProt (TrEMBL) Alternative ID(s) of Target Chain 24 BindingDB Target Chain Sequence 25 PDB ID(s) of Target Chain 25 UniProt (SwissProt) Recommended Name of Target Chain 25 UniProt (SwissProt) Entry Name of Target Chain 25 UniProt (SwissProt) Primary ID of Target Chain 25 UniProt (SwissProt) Secondary ID(s) of Target Chain 25 UniProt (SwissProt) Alternative ID(s) of Target Chain 25 UniProt (TrEMBL) Submitted Name of Target Chain 25 UniProt (TrEMBL) Entry Name of Target Chain 25 UniProt (TrEMBL) Primary ID of Target Chain 25 UniProt (TrEMBL) Secondary ID(s) of Target Chain 25 UniProt (TrEMBL) Alternative ID(s) of Target Chain 25 BindingDB Target Chain Sequence 26 PDB ID(s) of Target Chain 26 UniProt (SwissProt) Recommended Name of Target Chain 26 UniProt (SwissProt) Entry Name of Target Chain 26 UniProt (SwissProt) Primary ID of Target Chain 26 UniProt (SwissProt) Secondary ID(s) of Target Chain 26 UniProt (SwissProt) Alternative ID(s) of Target Chain 26 UniProt (TrEMBL) Submitted Name of Target Chain 26 UniProt (TrEMBL) Entry Name of Target Chain 26 UniProt (TrEMBL) Primary ID of Target Chain 26 UniProt (TrEMBL) Secondary ID(s) of Target Chain 26 UniProt (TrEMBL) Alternative ID(s) of Target Chain 26 BindingDB Target Chain Sequence 27 PDB ID(s) of Target Chain 27 UniProt (SwissProt) Recommended Name of Target Chain 27 UniProt (SwissProt) Entry Name of Target Chain 27 UniProt (SwissProt) Primary ID of Target Chain 27 UniProt (SwissProt) Secondary ID(s) of Target Chain 27 UniProt (SwissProt) Alternative ID(s) of Target Chain 27 UniProt (TrEMBL) Submitted Name of Target Chain 27 UniProt (TrEMBL) Entry Name of Target Chain 27 UniProt (TrEMBL) Primary ID of Target Chain 27 UniProt (TrEMBL) Secondary ID(s) of Target Chain 27 UniProt (TrEMBL) Alternative ID(s) of Target Chain 27 BindingDB Target Chain Sequence 28 PDB ID(s) of Target Chain 28 UniProt (SwissProt) Recommended Name of Target Chain 28 UniProt (SwissProt) Entry Name of Target Chain 28 UniProt (SwissProt) Primary ID of Target Chain 28 UniProt (SwissProt) Secondary ID(s) of Target Chain 28 UniProt (SwissProt) Alternative ID(s) of Target Chain 28 UniProt (TrEMBL) Submitted Name of Target Chain 28 UniProt (TrEMBL) Entry Name of Target Chain 28 UniProt (TrEMBL) Primary ID of Target Chain 28 UniProt (TrEMBL) Secondary ID(s) of Target Chain 28 UniProt (TrEMBL) Alternative ID(s) of Target Chain 28 BindingDB Target Chain Sequence 29 PDB ID(s) of Target Chain 29 UniProt (SwissProt) Recommended Name of Target Chain 29 UniProt (SwissProt) Entry Name of Target Chain 29 UniProt (SwissProt) Primary ID of Target Chain 29 UniProt (SwissProt) Secondary ID(s) of Target Chain 29 UniProt (SwissProt) Alternative ID(s) of Target Chain 29 UniProt (TrEMBL) Submitted Name of Target Chain 29 UniProt (TrEMBL) Entry Name of Target Chain 29 UniProt (TrEMBL) Primary ID of Target Chain 29 UniProt (TrEMBL) Secondary ID(s) of Target Chain 29 UniProt (TrEMBL) Alternative ID(s) of Target Chain 29 BindingDB Target Chain Sequence 30 PDB ID(s) of Target Chain 30 UniProt (SwissProt) Recommended Name of Target Chain 30 UniProt (SwissProt) Entry Name of Target Chain 30 UniProt (SwissProt) Primary ID of Target Chain 30 UniProt (SwissProt) Secondary ID(s) of Target Chain 30 UniProt (SwissProt) Alternative ID(s) of Target Chain 30 UniProt (TrEMBL) Submitted Name of Target Chain 30 UniProt (TrEMBL) Entry Name of Target Chain 30 UniProt (TrEMBL) Primary ID of Target Chain 30 UniProt (TrEMBL) Secondary ID(s) of Target Chain 30 UniProt (TrEMBL) Alternative ID(s) of Target Chain 30 BindingDB Target Chain Sequence 31 PDB ID(s) of Target Chain 31 UniProt (SwissProt) Recommended Name of Target Chain 31 UniProt (SwissProt) Entry Name of Target Chain 31 UniProt (SwissProt) Primary ID of Target Chain 31 UniProt (SwissProt) Secondary ID(s) of Target Chain 31 UniProt (SwissProt) Alternative ID(s) of Target Chain 31 UniProt (TrEMBL) Submitted Name of Target Chain 31 UniProt (TrEMBL) Entry Name of Target Chain 31 UniProt (TrEMBL) Primary ID of Target Chain 31 UniProt (TrEMBL) Secondary ID(s) of Target Chain 31 UniProt (TrEMBL) Alternative ID(s) of Target Chain 31 BindingDB Target Chain Sequence 32 PDB ID(s) of Target Chain 32 UniProt (SwissProt) Recommended Name of Target Chain 32 UniProt (SwissProt) Entry Name of Target Chain 32 UniProt (SwissProt) Primary ID of Target Chain 32 UniProt (SwissProt) Secondary ID(s) of Target Chain 32 UniProt (SwissProt) Alternative ID(s) of Target Chain 32 UniProt (TrEMBL) Submitted Name of Target Chain 32 UniProt (TrEMBL) Entry Name of Target Chain 32 UniProt (TrEMBL) Primary ID of Target Chain 32 UniProt (TrEMBL) Secondary ID(s) of Target Chain 32 UniProt (TrEMBL) Alternative ID(s) of Target Chain 32 BindingDB Target Chain Sequence 33 PDB ID(s) of Target Chain 33 UniProt (SwissProt) Recommended Name of Target Chain 33 UniProt (SwissProt) Entry Name of Target Chain 33 UniProt (SwissProt) Primary ID of Target Chain 33 UniProt (SwissProt) Secondary ID(s) of Target Chain 33 UniProt (SwissProt) Alternative ID(s) of Target Chain 33 UniProt (TrEMBL) Submitted Name of Target Chain 33 UniProt (TrEMBL) Entry Name of Target Chain 33 UniProt (TrEMBL) Primary ID of Target Chain 33 UniProt (TrEMBL) Secondary ID(s) of Target Chain 33 UniProt (TrEMBL) Alternative ID(s) of Target Chain 33 BindingDB Target Chain Sequence 34 PDB ID(s) of Target Chain 34 UniProt (SwissProt) Recommended Name of Target Chain 34 UniProt (SwissProt) Entry Name of Target Chain 34 UniProt (SwissProt) Primary ID of Target Chain 34 UniProt (SwissProt) Secondary ID(s) of Target Chain 34 UniProt (SwissProt) Alternative ID(s) of Target Chain 34 UniProt (TrEMBL) Submitted Name of Target Chain 34 UniProt (TrEMBL) Entry Name of Target Chain 34 UniProt (TrEMBL) Primary ID of Target Chain 34 UniProt (TrEMBL) Secondary ID(s) of Target Chain 34 UniProt (TrEMBL) Alternative ID(s) of Target Chain 34 BindingDB Target Chain Sequence 35 PDB ID(s) of Target Chain 35 UniProt (SwissProt) Recommended Name of Target Chain 35 UniProt (SwissProt) Entry Name of Target Chain 35 UniProt (SwissProt) Primary ID of Target Chain 35 UniProt (SwissProt) Secondary ID(s) of Target Chain 35 UniProt (SwissProt) Alternative ID(s) of Target Chain 35 UniProt (TrEMBL) Submitted Name of Target Chain 35 UniProt (TrEMBL) Entry Name of Target Chain 35 UniProt (TrEMBL) Primary ID of Target Chain 35 UniProt (TrEMBL) Secondary ID(s) of Target Chain 35 UniProt (TrEMBL) Alternative ID(s) of Target Chain 35 BindingDB Target Chain Sequence 36 PDB ID(s) of Target Chain 36 UniProt (SwissProt) Recommended Name of Target Chain 36 UniProt (SwissProt) Entry Name of Target Chain 36 UniProt (SwissProt) Primary ID of Target Chain 36 UniProt (SwissProt) Secondary ID(s) of Target Chain 36 UniProt (SwissProt) Alternative ID(s) of Target Chain 36 UniProt (TrEMBL) Submitted Name of Target Chain 36 UniProt (TrEMBL) Entry Name of Target Chain 36 UniProt (TrEMBL) Primary ID of Target Chain 36 UniProt (TrEMBL) Secondary ID(s) of Target Chain 36 UniProt (TrEMBL) Alternative ID(s) of Target Chain 36 BindingDB Target Chain Sequence 37 PDB ID(s) of Target Chain 37 UniProt (SwissProt) Recommended Name of Target Chain 37 UniProt (SwissProt) Entry Name of Target Chain 37 UniProt (SwissProt) Primary ID of Target Chain 37 UniProt (SwissProt) Secondary ID(s) of Target Chain 37 UniProt (SwissProt) Alternative ID(s) of Target Chain 37 UniProt (TrEMBL) Submitted Name of Target Chain 37 UniProt (TrEMBL) Entry Name of Target Chain 37 UniProt (TrEMBL) Primary ID of Target Chain 37 UniProt (TrEMBL) Secondary ID(s) of Target Chain 37 UniProt (TrEMBL) Alternative ID(s) of Target Chain 37 BindingDB Target Chain Sequence 38 PDB ID(s) of Target Chain 38 UniProt (SwissProt) Recommended Name of Target Chain 38 UniProt (SwissProt) Entry Name of Target Chain 38 UniProt (SwissProt) Primary ID of Target Chain 38 UniProt (SwissProt) Secondary ID(s) of Target Chain 38 UniProt (SwissProt) Alternative ID(s) of Target Chain 38 UniProt (TrEMBL) Submitted Name of Target Chain 38 UniProt (TrEMBL) Entry Name of Target Chain 38 UniProt (TrEMBL) Primary ID of Target Chain 38 UniProt (TrEMBL) Secondary ID(s) of Target Chain 38 UniProt (TrEMBL) Alternative ID(s) of Target Chain 38 BindingDB Target Chain Sequence 39 PDB ID(s) of Target Chain 39 UniProt (SwissProt) Recommended Name of Target Chain 39 UniProt (SwissProt) Entry Name of Target Chain 39 UniProt (SwissProt) Primary ID of Target Chain 39 UniProt (SwissProt) Secondary ID(s) of Target Chain 39 UniProt (SwissProt) Alternative ID(s) of Target Chain 39 UniProt (TrEMBL) Submitted Name of Target Chain 39 UniProt (TrEMBL) Entry Name of Target Chain 39 UniProt (TrEMBL) Primary ID of Target Chain 39 UniProt (TrEMBL) Secondary ID(s) of Target Chain 39 UniProt (TrEMBL) Alternative ID(s) of Target Chain 39 BindingDB Target Chain Sequence 40 PDB ID(s) of Target Chain 40 UniProt (SwissProt) Recommended Name of Target Chain 40 UniProt (SwissProt) Entry Name of Target Chain 40 UniProt (SwissProt) Primary ID of Target Chain 40 UniProt (SwissProt) Secondary ID(s) of Target Chain 40 UniProt (SwissProt) Alternative ID(s) of Target Chain 40 UniProt (TrEMBL) Submitted Name of Target Chain 40 UniProt (TrEMBL) Entry Name of Target Chain 40 UniProt (TrEMBL) Primary ID of Target Chain 40 UniProt (TrEMBL) Secondary ID(s) of Target Chain 40 UniProt (TrEMBL) Alternative ID(s) of Target Chain 40 BindingDB Target Chain Sequence 41 PDB ID(s) of Target Chain 41 UniProt (SwissProt) Recommended Name of Target Chain 41 UniProt (SwissProt) Entry Name of Target Chain 41 UniProt (SwissProt) Primary ID of Target Chain 41 UniProt (SwissProt) Secondary ID(s) of Target Chain 41 UniProt (SwissProt) Alternative ID(s) of Target Chain 41 UniProt (TrEMBL) Submitted Name of Target Chain 41 UniProt (TrEMBL) Entry Name of Target Chain 41 UniProt (TrEMBL) Primary ID of Target Chain 41 UniProt (TrEMBL) Secondary ID(s) of Target Chain 41 UniProt (TrEMBL) Alternative ID(s) of Target Chain 41 BindingDB Target Chain Sequence 42 PDB ID(s) of Target Chain 42 UniProt (SwissProt) Recommended Name of Target Chain 42 UniProt (SwissProt) Entry Name of Target Chain 42 UniProt (SwissProt) Primary ID of Target Chain 42 UniProt (SwissProt) Secondary ID(s) of Target Chain 42 UniProt (SwissProt) Alternative ID(s) of Target Chain 42 UniProt (TrEMBL) Submitted Name of Target Chain 42 UniProt (TrEMBL) Entry Name of Target Chain 42 UniProt (TrEMBL) Primary ID of Target Chain 42 UniProt (TrEMBL) Secondary ID(s) of Target Chain 42 UniProt (TrEMBL) Alternative ID(s) of Target Chain 42 BindingDB Target Chain Sequence 43 PDB ID(s) of Target Chain 43 UniProt (SwissProt) Recommended Name of Target Chain 43 UniProt (SwissProt) Entry Name of Target Chain 43 UniProt (SwissProt) Primary ID of Target Chain 43 UniProt (SwissProt) Secondary ID(s) of Target Chain 43 UniProt (SwissProt) Alternative ID(s) of Target Chain 43 UniProt (TrEMBL) Submitted Name of Target Chain 43 UniProt (TrEMBL) Entry Name of Target Chain 43 UniProt (TrEMBL) Primary ID of Target Chain 43 UniProt (TrEMBL) Secondary ID(s) of Target Chain 43 UniProt (TrEMBL) Alternative ID(s) of Target Chain 43 BindingDB Target Chain Sequence 44 PDB ID(s) of Target Chain 44 UniProt (SwissProt) Recommended Name of Target Chain 44 UniProt (SwissProt) Entry Name of Target Chain 44 UniProt (SwissProt) Primary ID of Target Chain 44 UniProt (SwissProt) Secondary ID(s) of Target Chain 44 UniProt (SwissProt) Alternative ID(s) of Target Chain 44 UniProt (TrEMBL) Submitted Name of Target Chain 44 UniProt (TrEMBL) Entry Name of Target Chain 44 UniProt (TrEMBL) Primary ID of Target Chain 44 UniProt (TrEMBL) Secondary ID(s) of Target Chain 44 UniProt (TrEMBL) Alternative ID(s) of Target Chain 44 BindingDB Target Chain Sequence 45 PDB ID(s) of Target Chain 45 UniProt (SwissProt) Recommended Name of Target Chain 45 UniProt (SwissProt) Entry Name of Target Chain 45 UniProt (SwissProt) Primary ID of Target Chain 45 UniProt (SwissProt) Secondary ID(s) of Target Chain 45 UniProt (SwissProt) Alternative ID(s) of Target Chain 45 UniProt (TrEMBL) Submitted Name of Target Chain 45 UniProt (TrEMBL) Entry Name of Target Chain 45 UniProt (TrEMBL) Primary ID of Target Chain 45 UniProt (TrEMBL) Secondary ID(s) of Target Chain 45 UniProt (TrEMBL) Alternative ID(s) of Target Chain 45 BindingDB Target Chain Sequence 46 PDB ID(s) of Target Chain 46 UniProt (SwissProt) Recommended Name of Target Chain 46 UniProt (SwissProt) Entry Name of Target Chain 46 UniProt (SwissProt) Primary ID of Target Chain 46 UniProt (SwissProt) Secondary ID(s) of Target Chain 46 UniProt (SwissProt) Alternative ID(s) of Target Chain 46 UniProt (TrEMBL) Submitted Name of Target Chain 46 UniProt (TrEMBL) Entry Name of Target Chain 46 UniProt (TrEMBL) Primary ID of Target Chain 46 UniProt (TrEMBL) Secondary ID(s) of Target Chain 46 UniProt (TrEMBL) Alternative ID(s) of Target Chain 46 BindingDB Target Chain Sequence 47 PDB ID(s) of Target Chain 47 UniProt (SwissProt) Recommended Name of Target Chain 47 UniProt (SwissProt) Entry Name of Target Chain 47 UniProt (SwissProt) Primary ID of Target Chain 47 UniProt (SwissProt) Secondary ID(s) of Target Chain 47 UniProt (SwissProt) Alternative ID(s) of Target Chain 47 UniProt (TrEMBL) Submitted Name of Target Chain 47 UniProt (TrEMBL) Entry Name of Target Chain 47 UniProt (TrEMBL) Primary ID of Target Chain 47 UniProt (TrEMBL) Secondary ID(s) of Target Chain 47 UniProt (TrEMBL) Alternative ID(s) of Target Chain 47 BindingDB Target Chain Sequence 48 PDB ID(s) of Target Chain 48 UniProt (SwissProt) Recommended Name of Target Chain 48 UniProt (SwissProt) Entry Name of Target Chain 48 UniProt (SwissProt) Primary ID of Target Chain 48 UniProt (SwissProt) Secondary ID(s) of Target Chain 48 UniProt (SwissProt) Alternative ID(s) of Target Chain 48 UniProt (TrEMBL) Submitted Name of Target Chain 48 UniProt (TrEMBL) Entry Name of Target Chain 48 UniProt (TrEMBL) Primary ID of Target Chain 48 UniProt (TrEMBL) Secondary ID(s) of Target Chain 48 UniProt (TrEMBL) Alternative ID(s) of Target Chain 48 BindingDB Target Chain Sequence 49 PDB ID(s) of Target Chain 49 UniProt (SwissProt) Recommended Name of Target Chain 49 UniProt (SwissProt) Entry Name of Target Chain 49 UniProt (SwissProt) Primary ID of Target Chain 49 UniProt (SwissProt) Secondary ID(s) of Target Chain 49 UniProt (SwissProt) Alternative ID(s) of Target Chain 49 UniProt (TrEMBL) Submitted Name of Target Chain 49 UniProt (TrEMBL) Entry Name of Target Chain 49 UniProt (TrEMBL) Primary ID of Target Chain 49 UniProt (TrEMBL) Secondary ID(s) of Target Chain 49 UniProt (TrEMBL) Alternative ID(s) of Target Chain 49 BindingDB Target Chain Sequence 50 PDB ID(s) of Target Chain 50 UniProt (SwissProt) Recommended Name of Target Chain 50 UniProt (SwissProt) Entry Name of Target Chain 50 UniProt (SwissProt) Primary ID of Target Chain 50 UniProt (SwissProt) Secondary ID(s) of Target Chain 50 UniProt (SwissProt) Alternative ID(s) of Target Chain 50 UniProt (TrEMBL) Submitted Name of Target Chain 50 UniProt (TrEMBL) Entry Name of Target Chain 50 UniProt (TrEMBL) Primary ID of Target Chain 50 UniProt (TrEMBL) Secondary ID(s) of Target Chain 50 UniProt (TrEMBL) Alternative ID(s) of Target Chain 50 50090813 CCC(C1C(=O)CC2(CCCCCCC2)OC1=O)c1ccccc1 InChI=1S/C21H28O3/c1-2-17(16-11-7-6-8-12-16)19-18(22)15-21(24-20(19)23)13-9-4-3-5-10-14-21/h6-8,11-12,17,19H,2-5,9-10,13-15H2,1H3 ZDZOOCJCLUVXBL-UHFFFAOYSA-N 50054607 4-Hydroxy-3-(1-phenyl-propyl)-1-oxa-spiro[5.7]tridec-3-en-2-one::CHEMBL141176 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 3000 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054607 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054607&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54542170 103951192 CHEMBL141176 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090814 CCCC1(CC(=O)C(C(CC)c2ccccc2)C(=O)O1)c1ccccc1 InChI=1S/C23H26O3/c1-3-15-23(18-13-9-6-10-14-18)16-20(24)21(22(25)26-23)19(4-2)17-11-7-5-8-12-17/h5-14,19,21H,3-4,15-16H2,1-2H3 NVJXNSJZXFPQQY-UHFFFAOYSA-N 50054608 4-Hydroxy-6-phenyl-3-(1-phenyl-propyl)-6-propyl-5,6-dihydro-pyran-2-one::CHEMBL140468 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 95 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054608 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054608&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54132590 103951193 CHEMBL140468 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090815 CCC(C1C(=O)CC(CC)(OC1=O)c1ccccc1)c1ccccc1 InChI=1S/C22H24O3/c1-3-18(16-11-7-5-8-12-16)20-19(23)15-22(4-2,25-21(20)24)17-13-9-6-10-14-17/h5-14,18,20H,3-4,15H2,1-2H3 YHXHGOWELPMLIY-UHFFFAOYSA-N 50054609 6-Ethyl-4-hydroxy-6-phenyl-3-(1-phenyl-propyl)-5,6-dihydro-pyran-2-one::CHEMBL141143 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 160 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054609 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054609&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 17827406 103951194 CHEMBL141143 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090816 CCCC1(CCc2ccccc2)CC(=O)C(C(C=C)c2ccccc2)C(=O)O1 InChI=1S/C25H28O3/c1-3-16-25(17-15-19-11-7-5-8-12-19)18-22(26)23(24(27)28-25)21(4-2)20-13-9-6-10-14-20/h4-14,21,23H,2-3,15-18H2,1H3 VFCHVPBTEPFPKS-UHFFFAOYSA-N 50054610 4-Hydroxy-6-phenethyl-3-(1-phenyl-allyl)-6-propyl-5,6-dihydro-pyran-2-one::CHEMBL143385 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 16 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054610 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054610&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54388724 103951195 CHEMBL143385 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090817 CCC(C1C(=O)CC(CC(C)C)(CC(C)C)OC1=O)c1ccccc1 InChI=1S/C22H32O3/c1-6-18(17-10-8-7-9-11-17)20-19(23)14-22(12-15(2)3,13-16(4)5)25-21(20)24/h7-11,15-16,18,20H,6,12-14H2,1-5H3 QSNGGUCNKQVWOS-UHFFFAOYSA-N 50054611 4-Hydroxy-6,6-diisobutyl-3-(1-phenyl-propyl)-5,6-dihydro-pyran-2-one::CHEMBL142907 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 75000 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054611 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054611&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54244842 103951196 CHEMBL142907 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090818 C=CC(C1C(=O)CC2(CCOCC2)OC1=O)c1ccccc1 InChI=1S/C18H20O4/c1-2-14(13-6-4-3-5-7-13)16-15(19)12-18(22-17(16)20)8-10-21-11-9-18/h2-7,14,16H,1,8-12H2 NETWCKSATDQSSV-UHFFFAOYSA-N 50054612 4-Hydroxy-3-(1-phenyl-allyl)-1,9-dioxa-spiro[5.5]undec-3-en-2-one::CHEMBL337360 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >10000 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054612 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054612&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54107489 103951197 CHEMBL337360 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090819 CCCCC1(Cc2ccccc2)CC(=O)C(C(CC)c2ccccc2)C(=O)O1 InChI=1S/C25H30O3/c1-3-5-16-25(17-19-12-8-6-9-13-19)18-22(26)23(24(27)28-25)21(4-2)20-14-10-7-11-15-20/h6-15,21,23H,3-5,16-18H2,1-2H3 HTFZXFBFRYOQLX-UHFFFAOYSA-N 50054613 6-Benzyl-6-butyl-4-hydroxy-3-(1-phenyl-propyl)-5,6-dihydro-pyran-2-one::CHEMBL344838 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 3000 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054613 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054613&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 53895203 103951198 CHEMBL344838 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090820 CCCC1(CCc2ccccc2)CC(=O)C(C(\C=C\c2ccccc2)c2ccccc2)C(=O)O1 InChI=1S/C31H32O3/c1-2-21-31(22-20-25-14-8-4-9-15-25)23-28(32)29(30(33)34-31)27(26-16-10-5-11-17-26)19-18-24-12-6-3-7-13-24/h3-19,27,29H,2,20-23H2,1H3 URTQKDAIHSTJTL-UHFFFAOYSA-N 50054614 3-((E)-1,3-Diphenyl-allyl)-4-hydroxy-6-phenethyl-6-propyl-5,6-dihydro-pyran-2-one::CHEMBL143630 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 50 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054614 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054614&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 91929470 103951199 CHEMBL143630 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090821 CCCC1(CCc2ccccc2)CC(=O)C(C(CCc2ccccc2)c2ccccc2)C(=O)O1 InChI=1S/C31H34O3/c1-2-21-31(22-20-25-14-8-4-9-15-25)23-28(32)29(30(33)34-31)27(26-16-10-5-11-17-26)19-18-24-12-6-3-7-13-24/h3-17,27,29H,2,18-23H2,1H3 FUCIJVRNOAVLDH-UHFFFAOYSA-N 50054616 3-(1,3-Diphenyl-propyl)-4-hydroxy-6-phenethyl-6-propyl-5,6-dihydro-pyran-2-one::CHEMBL143773 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 33 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054616 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054616&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 91929471 103951201 CHEMBL143773 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090822 CCCC1(CCC)CC(=O)C(C(CC)c2ccccc2)C(=O)O1 InChI=1S/C20H28O3/c1-4-12-20(13-5-2)14-17(21)18(19(22)23-20)16(6-3)15-10-8-7-9-11-15/h7-11,16,18H,4-6,12-14H2,1-3H3 IEASYALMIWHTHB-UHFFFAOYSA-N 50054615 4-Hydroxy-3-(1-phenyl-propyl)-6,6-dipropyl-5,6-dihydro-pyran-2-one::CHEMBL143656 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 22 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054615 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054615&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 53911428 103951200 CHEMBL143656 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090823 CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2ccccc2)C(=O)O1 InChI=1S/C25H30O3/c1-3-16-25(17-15-19-11-7-5-8-12-19)18-22(26)23(24(27)28-25)21(4-2)20-13-9-6-10-14-20/h5-14,21,23H,3-4,15-18H2,1-2H3 BCOGHHBKCRWUPQ-UHFFFAOYSA-N 50054619 4-Hydroxy-6-phenethyl-3-(1-phenyl-propyl)-6-propyl-5,6-dihydro-pyran-2-one::CHEMBL143235 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 35 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054619 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054619&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 53675029 103951204 CHEMBL143235 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090824 C=CC(C1C(=O)CC2(CCCC2)OC1=O)c1ccccc1 InChI=1S/C18H20O3/c1-2-14(13-8-4-3-5-9-13)16-15(19)12-18(21-17(16)20)10-6-7-11-18/h2-5,8-9,14,16H,1,6-7,10-12H2 XOYHXRXUIIUSDD-UHFFFAOYSA-N 50054617 9-Hydroxy-8-(1-phenyl-allyl)-6-oxa-spiro[4.5]dec-8-en-7-one::CHEMBL356524 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 3000 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054617 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054617&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54480927 103951202 CHEMBL356524 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090825 CCCC1(CCc2ccccc2)CC(=O)C(C(C2CCCC2)c2ccccc2)C(=O)O1 InChI=1S/C28H34O3/c1-2-18-28(19-17-21-11-5-3-6-12-21)20-24(29)26(27(30)31-28)25(23-15-9-10-16-23)22-13-7-4-8-14-22/h3-8,11-14,23,25-26H,2,9-10,15-20H2,1H3 RBPIPBZFKMTZPW-UHFFFAOYSA-N 50054618 3-(Cyclopentyl-phenyl-methyl)-4-hydroxy-6-phenethyl-6-propyl-5,6-dihydro-pyran-2-one::CHEMBL143663 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 59 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054618 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054618&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54258265 103951203 CHEMBL143663 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090826 C=CC(C1C(=O)CC2(CCCCCC2)OC1=O)c1ccccc1 InChI=1S/C20H24O3/c1-2-16(15-10-6-5-7-11-15)18-17(21)14-20(23-19(18)22)12-8-3-4-9-13-20/h2,5-7,10-11,16,18H,1,3-4,8-9,12-14H2 XLWZRXCOFKLDGN-UHFFFAOYSA-N 50054620 4-Hydroxy-3-(1-phenyl-allyl)-1-oxa-spiro[5.6]dodec-3-en-2-one::CHEMBL343637 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >1000 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054620 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054620&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54476412 103951205 CHEMBL343637 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090827 CCCC1(CCC)CC(=O)C(C(c2ccccc2)C(C)(C)C)C(=O)O1 InChI=1S/C22H32O3/c1-6-13-22(14-7-2)15-17(23)18(20(24)25-22)19(21(3,4)5)16-11-9-8-10-12-16/h8-12,18-19H,6-7,13-15H2,1-5H3 UFIWWBUKCPODDQ-UHFFFAOYSA-N 50054622 3-(2,2-Dimethyl-1-phenyl-propyl)-4-hydroxy-6,6-dipropyl-5,6-dihydro-pyran-2-one::CHEMBL443822 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >1000 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054622 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054622&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54350469 103951207 CHEMBL443822 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090828 CCC(C1C(=O)CC2(CCCCC2)OC1=O)c1ccccc1 InChI=1S/C19H24O3/c1-2-15(14-9-5-3-6-10-14)17-16(20)13-19(22-18(17)21)11-7-4-8-12-19/h3,5-6,9-10,15,17H,2,4,7-8,11-13H2,1H3 ANGOAHHESHXEMR-UHFFFAOYSA-N 50054623 4-Hydroxy-3-(1-phenyl-propyl)-1-oxa-spiro[5.5]undec-3-en-2-one::CHEMBL143401 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 780.0 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054623 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054623&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 91929472 103951208 CHEMBL143401 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090829 C=CC(C1C(=O)CC2(CCCCC2Cc2ccccc2)OC1=O)c1ccccc1 InChI=1S/C26H28O3/c1-2-22(20-13-7-4-8-14-20)24-23(27)18-26(29-25(24)28)16-10-9-15-21(26)17-19-11-5-3-6-12-19/h2-8,11-14,21-22,24H,1,9-10,15-18H2 LBWLQGVPLIAHKC-UHFFFAOYSA-N 50054621 7-Benzyl-4-hydroxy-3-(1-phenyl-allyl)-1-oxa-spiro[5.5]undec-3-en-2-one::CHEMBL336000 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >1000 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054621 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054621&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54025494 103951206 CHEMBL336000 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090830 CCC(C1C(=O)CC(Cc2ccccc2)(OC1=O)c1ccccc1)c1ccccc1 InChI=1S/C27H26O3/c1-2-23(21-14-8-4-9-15-21)25-24(28)19-27(30-26(25)29,22-16-10-5-11-17-22)18-20-12-6-3-7-13-20/h3-17,23,25H,2,18-19H2,1H3 SJAIBQCIIOEZHX-UHFFFAOYSA-N 50054625 6-Benzyl-4-hydroxy-6-phenyl-3-(1-phenyl-propyl)-5,6-dihydro-pyran-2-one::CHEMBL143086 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >10000 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054625 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054625&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54308202 103951210 CHEMBL143086 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090831 CCC(C1C(=O)CC(OC1=O)(C1CCCCC1)c1ccccc1)c1cccc(O)c1 InChI=1S/C26H30O4/c1-2-22(18-10-9-15-21(27)16-18)24-23(28)17-26(30-25(24)29,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3,5-6,9-12,15-16,20,22,24,27H,2,4,7-8,13-14,17H2,1H3 JXKOPEXDLNDGCC-UHFFFAOYSA-N 50054624 6-Cyclohexyl-4-hydroxy-3-[1-(3-hydroxy-phenyl)-propyl]-6-phenyl-5,6-dihydro-pyran-2-one::CHEMBL143135 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 610 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054624 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054624&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 53979704 103951209 CHEMBL143135 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090832 CCC(C1C(=O)CC(Cc2ccccc2)(Cc2ccccc2)OC1=O)c1ccccc1 InChI=1S/C28H28O3/c1-2-24(23-16-10-5-11-17-23)26-25(29)20-28(31-27(26)30,18-21-12-6-3-7-13-21)19-22-14-8-4-9-15-22/h3-17,24,26H,2,18-20H2,1H3 SVKAWNDHMZZVIH-UHFFFAOYSA-N 50054626 6,6-Dibenzyl-4-hydroxy-3-(1-phenyl-propyl)-5,6-dihydro-pyran-2-one::CHEMBL143085 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >10000 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054626 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054626&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54326618 103951211 CHEMBL143085 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090833 CCCC1(CCC)CC(=O)C(C(C2CC2)c2ccccc2)C(=O)O1 InChI=1S/C21H28O3/c1-3-12-21(13-4-2)14-17(22)19(20(23)24-21)18(16-10-11-16)15-8-6-5-7-9-15/h5-9,16,18-19H,3-4,10-14H2,1-2H3 CQBGIKJIJROBAW-UHFFFAOYSA-N 50054629 3-(Cyclopropyl-phenyl-methyl)-4-hydroxy-6,6-dipropyl-5,6-dihydro-pyran-2-one::CHEMBL143758 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 15 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054629 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054629&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 53734261 103951214 CHEMBL143758 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090834 CCCC1(CCc2ccccc2)CC(=O)C(C(C2CC2)c2ccccc2)C(=O)O1 InChI=1S/C26H30O3/c1-2-16-26(17-15-19-9-5-3-6-10-19)18-22(27)24(25(28)29-26)23(21-13-14-21)20-11-7-4-8-12-20/h3-12,21,23-24H,2,13-18H2,1H3 CAZQWKBRHQDWLX-UHFFFAOYSA-N 50054628 3-(Cyclopropyl-phenyl-methyl)-4-hydroxy-6-phenethyl-6-propyl-5,6-dihydro-pyran-2-one::CHEMBL142282 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 64 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054628 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054628&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 53711824 103951213 CHEMBL142282 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50090835 CCCC1(CCC)CC(=O)C(C(C2CCCC2)c2ccccc2)C(=O)O1 InChI=1S/C23H32O3/c1-3-14-23(15-4-2)16-19(24)21(22(25)26-23)20(18-12-8-9-13-18)17-10-6-5-7-11-17/h5-7,10-11,18,20-21H,3-4,8-9,12-16H2,1-2H3 IKFCQUBSBRPKID-UHFFFAOYSA-N 50054630 3-(Cyclopentyl-phenyl-methyl)-4-hydroxy-6,6-dipropyl-5,6-dihydro-pyran-2-one::CHEMBL143550 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 39 ChEMBL 10.1021/jm960228q 10.7270/Q247490H 8917652 Thaisrivongs, S; Romero, DL; Tommasi, RA; Janakiraman, MN; Strohbach, JW; Turner, SR; Biles, C; Morge, RR; Johnson, PD; Aristoff, PA; Tomich, PK; Lynn, JC; Horng, MM; Chong, KT; Hinshaw, RR; Howe, WJ; Finzel, BC; Watenpaugh, KD 12/26/1996 11/10/2009 Pharmacia & Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50054630 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=223&target=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50054630&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 53920666 103951215 CHEMBL143550 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5