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 50043747 CCC(C1C(=O)OC2CCCCC2C1=O)c1cccc(NS(=O)(=O)c2ccc(cn2)C#N)c1 InChI=1S/C24H25N3O5S/c1-2-18(22-23(28)19-8-3-4-9-20(19)32-24(22)29)16-6-5-7-17(12-16)27-33(30,31)21-11-10-15(13-25)14-26-21/h5-7,10-12,14,18-20,22,27H,2-4,8-9H2,1H3 AOCXGHXWILGDHZ-UHFFFAOYSA-N 50407974 CHEMBL2111883 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 0.050000 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50407974 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=50407974&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 91900636 163356998 CHEMBL2111883 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089297 CCC(C1C(=O)OC2CCCC2C1=O)c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 InChI=1S/C24H24N2O5S/c1-2-19(22-23(27)20-7-4-8-21(20)31-24(22)28)16-5-3-6-17(13-16)26-32(29,30)18-11-9-15(14-25)10-12-18/h3,5-6,9-13,19-22,26H,2,4,7-8H2,1H3 FTGQOEVLKUJHGZ-UHFFFAOYSA-N 50053904 4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-cyclopenta[b]pyran-3-yl)-propyl]-phenyl}-benzenesulfonamide::CHEMBL130283 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 0.147 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50053904 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=50053904&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 53817268 103950572 CHEMBL130283 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089298 CCC(c1ccccc1)c1c(O)c2CCCCCCCc2oc1=O InChI=1S/C21H26O3/c1-2-16(15-11-7-6-8-12-15)19-20(22)17-13-9-4-3-5-10-14-18(17)24-21(19)23/h6-8,11-12,16,22H,2-5,9-10,13-14H2,1H3 UMPZHMBRNGYJAP-UHFFFAOYSA-N 50029522 4-Hydroxy-3-(1-phenyl-propyl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyran-2-one::CHEMBL132747 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >2000 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50029522 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=50029522&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54728393 103938591 CHEMBL132747 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089300 CCC(C1C(=O)OC2CCCCCCC2C1=O)c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 InChI=1S/C27H30N2O5S/c1-2-22(25-26(30)23-10-5-3-4-6-11-24(23)34-27(25)31)19-8-7-9-20(16-19)29-35(32,33)21-14-12-18(17-28)13-15-21/h7-9,12-16,22-25,29H,2-6,10-11H2,1H3 VMOMGKUDELVRCK-UHFFFAOYSA-N 50053906 4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-4a,5,6,7,8,9,10,10a-octahydro-2H-cycloocta[b]pyran-3-yl)-propyl]-phenyl}-benzenesulfonamide::CHEMBL133804 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 0.175 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50053906 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=50053906&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54399765 103950574 CHEMBL133804 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089301 CCC(c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1)c1c(O)c2CCCCCCc2oc1=O InChI=1S/C27H28N2O5S/c1-2-22(25-26(30)23-10-5-3-4-6-11-24(23)34-27(25)31)19-8-7-9-20(16-19)29-35(32,33)21-14-12-18(17-28)13-15-21/h7-9,12-16,22,29-30H,2-6,10-11H2,1H3 ULRNZWUMNJXISM-UHFFFAOYSA-N 1501 4-cyano-N-[3-(1-{4-hydroxy-2-oxo-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-3-yl}propyl)phenyl]benzene-1-sulfonamide::CHEMBL16316::4-Cyano-N-[3-[1-(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2H-cycloocta[b]pyran-3-yl)propyl]phenyl]benzenesulfonamide::Sulfonamide-Substituted Cyclooctylpyranone deriv. 44a Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 0.007 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=1501 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=1501&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54688978 8031364 CHEMBL16316 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089302 CCC(C1C(=O)OC2CCCCCC2C1=O)c1ccccc1 InChI=1S/C19H24O3/c1-2-14(13-9-5-3-6-10-13)17-18(20)15-11-7-4-8-12-16(15)22-19(17)21/h3,5-6,9-10,14-17H,2,4,7-8,11-12H2,1H3 HZPAGLACAXSJNU-UHFFFAOYSA-N 50053907 4-Hydroxy-3-(1-phenyl-propyl)-5,6,7,8,9,9a-hexahydro-4aH-cyclohepta[b]pyran-2-one::CHEMBL422614 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >1200 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50053907 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=50053907&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 53904705 103950575 CHEMBL422614 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089303 CC(C)(C)C(C1C(=O)OC2CCCCCCC2C1=O)c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 InChI=1S/C29H34N2O5S/c1-29(2,3)26(25-27(32)23-11-6-4-5-7-12-24(23)36-28(25)33)20-9-8-10-21(17-20)31-37(34,35)22-15-13-19(18-30)14-16-22/h8-10,13-17,23-26,31H,4-7,11-12H2,1-3H3 CXYHRQAGHMZHPA-UHFFFAOYSA-N 50053908 4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-4a,5,6,7,8,9,10,10a-octahydro-2H-cycloocta[b]pyran-3-yl)-2,2-dimethyl-propyl]-phenyl}-benzenesulfonamide::CHEMBL336746 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 0.2 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50053908 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=50053908&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 91929453 103950576 CHEMBL336746 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089304 CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3 DQDAYGNAKTZFIW-UHFFFAOYSA-N 768 4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one::CHEMBL16694::phenprocoumon Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 800 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=768 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=768&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54680692 8030662 CHEMBL16694 DB00946 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089305 CCC(c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1)c1c(O)c2CCCCCc2oc1=O InChI=1S/C26H26N2O5S/c1-2-21(24-25(29)22-9-4-3-5-10-23(22)33-26(24)30)18-7-6-8-19(15-18)28-34(31,32)20-13-11-17(16-27)12-14-20/h6-8,11-15,21,28-29H,2-5,9-10H2,1H3 MZBJXKMJVLOTIB-UHFFFAOYSA-N 50053910 4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-2,5,6,7,8,9-hexahydro-cyclohepta[b]pyran-3-yl)-propyl]-phenyl}-benzenesulfonamide::CHEMBL132739 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 0.018 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50053910 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=50053910&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54728391 103950578 CHEMBL132739 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089306 CCC(C1C(=O)OC2CCCC2C1=O)c1ccccc1 InChI=1S/C17H20O3/c1-2-12(11-7-4-3-5-8-11)15-16(18)13-9-6-10-14(13)20-17(15)19/h3-5,7-8,12-15H,2,6,9-10H2,1H3 JXATYCSSRMOHAM-UHFFFAOYSA-N 50053911 4-Hydroxy-3-(1-phenyl-propyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyran-2-one::CHEMBL134038 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >2000 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50053911 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=50053911&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 53979161 103950579 CHEMBL134038 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089307 CCC(c1cccc(NS(=O)(=O)c2ccc(cn2)C#N)c1)c1c(O)c2CCCc2oc1=O InChI=1S/C23H21N3O5S/c1-2-17(21-22(27)18-7-4-8-19(18)31-23(21)28)15-5-3-6-16(11-15)26-32(29,30)20-10-9-14(12-24)13-25-20/h3,5-6,9-11,13,17,26-27H,2,4,7-8H2,1H3 GDEOHSJOOBUKGL-UHFFFAOYSA-N 50053912 5-Cyano-pyridine-2-sulfonic acid {3-[1-(4-hydroxy-2-oxo-2,5,6,7-tetrahydro-cyclopenta[b]pyran-3-yl)-propyl]-phenyl}-amide::CHEMBL415722 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 0.075 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50053912 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=50053912&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54691085 103950580 CHEMBL415722 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089308 CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCC3)OC2=O)O InChI=1S/C19H22O3/c1-2-14(13-9-5-3-6-10-13)17-18(20)15-11-7-4-8-12-16(15)22-19(17)21/h3,5-6,9-10,14,20H,2,4,7-8,11-12H2,1H3 YKJXQZGJGDTEOC-UHFFFAOYSA-N 50053914 4-Hydroxy-3-(1-phenyl-propyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyran-2-one::CHEMBL297888 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 480 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50053914 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=50053914&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search NIU 6UPJ 54680844 103950582 CHEMBL297888 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089309 CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCCC3)OC2=O)O InChI=1S/C20H24O3/c1-2-15(14-10-6-5-7-11-14)18-19(21)16-12-8-3-4-9-13-17(16)23-20(18)22/h5-7,10-11,15,21H,2-4,8-9,12-13H2,1H3 UXCLJNSXDNCIIT-UHFFFAOYSA-N 782 4-hydroxy-3-(1-phenylpropyl)-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one::5,6,7,8,9,10-Hexahydro-4-hydroxy-3-( 1-phenylpropyl).W-cycloocta[b]pyran-2-one::CHEMBL275899::Cyclooctylpyranone 4d Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 75 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=782 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=782&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search UIN 5UPJ 54684772 8030668 CHEMBL275899 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089310 CC(C)(C)C(C1C(=O)OC2CCCCCCC2C1=O)c1ccccc1 InChI=1S/C22H30O3/c1-22(2,3)19(15-11-7-6-8-12-15)18-20(23)16-13-9-4-5-10-14-17(16)25-21(18)24/h6-8,11-12,16-19H,4-5,9-10,13-14H2,1-3H3 LJCFYBJNJHFGQX-UHFFFAOYSA-N 50053913 3-(2,2-Dimethyl-1-phenyl-propyl)-4-hydroxy-4a,5,6,7,8,9,10,10a-octahydro-cycloocta[b]pyran-2-one::CHEMBL133951 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 1500 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50053913 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=50053913&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54036167 103950581 CHEMBL133951 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089311 CCC(c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1)c1c(O)c2CCCCc2oc1=O InChI=1S/C25H24N2O5S/c1-2-20(23-24(28)21-8-3-4-9-22(21)32-25(23)29)17-6-5-7-18(14-17)27-33(30,31)19-12-10-16(15-26)11-13-19/h5-7,10-14,20,27-28H,2-4,8-9H2,1H3 PAKVCZYVTVITSB-UHFFFAOYSA-N 50053916 4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-2H-chromen-3-yl)-propyl]-phenyl}-benzenesulfonamide::CHEMBL129900 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 0.065 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50053916 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=50053916&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54728392 103950584 CHEMBL129900 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089312 CCC(c1ccccc1)c1c(O)c2CCCc2oc1=O InChI=1S/C17H18O3/c1-2-12(11-7-4-3-5-8-11)15-16(18)13-9-6-10-14(13)20-17(15)19/h3-5,7-8,12,18H,2,6,9-10H2,1H3 XFVQMELXVQZLOP-UHFFFAOYSA-N 50053915 4-Hydroxy-3-(1-phenyl-propyl)-6,7-dihydro-5H-cyclopenta[b]pyran-2-one::CHEMBL292913 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 700 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50053915 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=50053915&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54680835 103950583 CHEMBL292913 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089313 CCC(c1ccccc1)c1c(O)c2CCCCc2oc1=O InChI=1S/C18H20O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-5,8-9,13,19H,2,6-7,10-11H2,1H3 NDZGQQWWTOUSKJ-UHFFFAOYSA-N 50053917 4-Hydroxy-3-(1-phenyl-propyl)-5,6,7,8-tetrahydro-chromen-2-one::CHEMBL57231 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 1100 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50053917 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=50053917&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54691083 103950585 CHEMBL57231 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089314 CCC(C1C(=O)OC2CCCCCC2C1=O)c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 InChI=1S/C26H28N2O5S/c1-2-21(24-25(29)22-9-4-3-5-10-23(22)33-26(24)30)18-7-6-8-19(15-18)28-34(31,32)20-13-11-17(16-27)12-14-20/h6-8,11-15,21-24,28H,2-5,9-10H2,1H3 XQOMOXZAOWUICI-UHFFFAOYSA-N 50053918 4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-2,4a,5,6,7,8,9,9a-octahydro-cyclohepta[b]pyran-3-yl)-propyl]-phenyl}-benzenesulfonamide::CHEMBL335737 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 0.19 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50053918 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=50053918&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54483342 103950586 CHEMBL335737 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089315 CCC(C1C(=O)OC2CCCCC2C1=O)c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 InChI=1S/C25H26N2O5S/c1-2-20(23-24(28)21-8-3-4-9-22(21)32-25(23)29)17-6-5-7-18(14-17)27-33(30,31)19-12-10-16(15-26)11-13-19/h5-7,10-14,20-23,27H,2-4,8-9H2,1H3 HEPDTGVXOWKJPR-UHFFFAOYSA-N 50053905 4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-4a,5,6,7,8,8a-hexahydro-2H-chromen-3-yl)-propyl]-phenyl}-benzenesulfonamide::CHEMBL132577 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 15 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50053905 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=50053905&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 53873237 103950573 CHEMBL132577 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089316 CCC(c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1)c1c(O)c2CCCCCCCCc2oc1=O InChI=1S/C29H32N2O5S/c1-2-24(27-28(32)25-12-7-5-3-4-6-8-13-26(25)36-29(27)33)21-10-9-11-22(18-21)31-37(34,35)23-16-14-20(19-30)15-17-23/h9-11,14-18,24,31-32H,2-8,12-13H2,1H3 QWFUVXWNTBYMHA-UHFFFAOYSA-N 50053919 4-Cyano-N-{3-[1-(4-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-2H-cyclodeca[b]pyran-3-yl)-propyl]-phenyl}-benzenesulfonamide::CHEMBL335653 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 0.25 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50053919 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=50053919&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54728397 103950587 CHEMBL335653 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089317 CCC(C1C(=O)OC2CCCCC2C1=O)c1ccccc1 InChI=1S/C18H22O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-5,8-9,13-16H,2,6-7,10-11H2,1H3 VLHHFNXAXXREJQ-UHFFFAOYSA-N 50053920 4-Hydroxy-3-(1-phenyl-propyl)-4a,5,6,7,8,8a-hexahydro-chromen-2-one::CHEMBL337439 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 670 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50053920 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=50053920&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54397847 103950588 CHEMBL337439 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5 50089318 CCC(C1C(=O)OC2CCCCCCC2C1=O)c1ccccc1 InChI=1S/C20H26O3/c1-2-15(14-10-6-5-7-11-14)18-19(21)16-12-8-3-4-9-13-17(16)23-20(18)22/h5-7,10-11,15-18H,2-4,8-9,12-13H2,1H3 MXGOVMFGYRFBBL-UHFFFAOYSA-N 50053921 4-Hydroxy-3-(1-phenyl-propyl)-4a,5,6,7,8,9,10,10a-octahydro-cycloocta[b]pyran-2-one::CHEMBL423528 Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 1200 ChEMBL 10.1021/jm960296c 10.7270/Q2KH0MFB 8831779 Romines, KR; Morris, JK; Howe, WJ; Tomich, PK; Horng, MM; Chong, KT; Hinshaw, RR; Anderson, DJ; Strohbach, JW; Turner, SR; Mizsak, SA 11/14/1996 11/10/2009 Pharmacia and Upjohn http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50053921 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=50053921&enzyme=Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 54096167 103950589 CHEMBL423528 1 PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1ODW,1HXB,1HIV,1G6L Gag-Pol polyprotein POL_HV1H2 P04585 O09777 Q9WJC5