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 1 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC(O)=O)C(=O)N(CCCCCC(O)=O)[C@@H]1Cc1ccccc1 InChI=1S/C31H42N2O7/c34-27(35)17-9-3-11-19-32-25(21-23-13-5-1-6-14-23)29(38)30(39)26(22-24-15-7-2-8-16-24)33(31(32)40)20-12-4-10-18-28(36)37/h1-2,5-8,13-16,25-26,29-30,38-39H,3-4,9-12,17-22H2,(H,34,35)(H,36,37) XGEGDSLAQZJGCW-UHFFFAOYSA-N 608734 6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]hexanoic acid::DMPC Cyclic Urea 1 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.24 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=608734 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=608734&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009304 483500124 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 2 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C\C=C\c2cn[nH]c2)C(=O)N(C\C=C\c2cn[nH]c2)[C@@H]1Cc1ccccc1 InChI=1S/C31H34N6O3/c38-29-27(17-23-9-3-1-4-10-23)36(15-7-13-25-19-32-33-20-25)31(40)37(16-8-14-26-21-34-35-22-26)28(30(29)39)18-24-11-5-2-6-12-24/h1-14,19-22,27-30,38-39H,15-18H2,(H,32,33)(H,34,35) UZLMEAPBHYEHAC-UHFFFAOYSA-N 22 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(2E)-3-(1H-pyrazol-4-yl)prop-2-en-1-yl]-1,3-diazepan-2-one::DMPC Cyclic Urea 2 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.25 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=22 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=22&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327236 8030010 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 3 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C(=O)N(C\C=C\c2cn[nH]c2)[C@@H]1Cc1ccccc1 InChI=1S/C29H34N4O3/c34-27-25(16-21-8-3-1-4-9-21)32(15-7-12-24-18-30-31-19-24)29(36)33(20-23-13-14-23)26(28(27)35)17-22-10-5-2-6-11-22/h1-12,18-19,23,25-28,34-35H,13-17,20H2,(H,30,31) HYNYUFZPPJMPOB-UHFFFAOYSA-N 23 (4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopropylmethyl)-5,6-dihydroxy-3-[(2E)-3-(1H-pyrazol-4-yl)prop-2-en-1-yl]-1,3-diazepan-2-one::DMPC Cyclic Urea 3 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.41 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=23 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=23&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327235 8030008 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 4 OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C1=O InChI=1S/C29H40N2O4/c32-18-10-2-1-9-17-30-25(19-22-11-5-3-6-12-22)27(33)28(34)26(20-23-13-7-4-8-14-23)31(29(30)35)21-24-15-16-24/h3-8,11-14,24-28,32-34H,1-2,9-10,15-21H2 YXVAZXDWVZTGGD-UHFFFAOYSA-N 24 (4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopropylmethyl)-5,6-dihydroxy-3-(6-hydroxyhexyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 4 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.8 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=24 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=24&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327234 8030007 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 5 OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C1=O InChI=1S/C28H38N2O4/c31-17-9-3-8-16-29-24(18-21-10-4-1-5-11-21)26(32)27(33)25(19-22-12-6-2-7-13-22)30(28(29)34)20-23-14-15-23/h1-2,4-7,10-13,23-27,31-33H,3,8-9,14-20H2 WWTSWTPNILRSJX-UHFFFAOYSA-N 25 (4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopropylmethyl)-5,6-dihydroxy-3-(5-hydroxypentyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 5 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.99 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=25&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009319 8030006 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 6 CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C1=O InChI=1S/C27H36N2O3/c1-2-3-16-28-23(17-20-10-6-4-7-11-20)25(30)26(31)24(18-21-12-8-5-9-13-21)29(27(28)32)19-22-14-15-22/h4-13,22-26,30-31H,2-3,14-19H2,1H3 QDUGHFLRTUTUJH-UHFFFAOYSA-N 26 (4R,5S,6S,7R)-4,7-dibenzyl-1-butyl-3-(cyclopropylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 6 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1.1 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=26&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327233 8030005 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 7 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CCC2)C(=O)N(CC2CCC2)[C@@H]1Cc1ccccc1 InChI=1S/C29H38N2O3/c32-27-25(17-21-9-3-1-4-10-21)30(19-23-13-7-14-23)29(34)31(20-24-15-8-16-24)26(28(27)33)18-22-11-5-2-6-12-22/h1-6,9-12,23-28,32-33H,7-8,13-20H2 ACIVSSKFPCODPQ-UHFFFAOYSA-N 27 CHEMBL287355::(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclobutylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 7 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1.3 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=27&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463335 8030004 CHEMBL287355 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 8 OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCO)C1=O InChI=1S/C29H42N2O5/c32-19-11-3-9-17-30-25(21-23-13-5-1-6-14-23)27(34)28(35)26(22-24-15-7-2-8-16-24)31(29(30)36)18-10-4-12-20-33/h1-2,5-8,13-16,25-28,32-35H,3-4,9-12,17-22H2 IXMFJRZMSUIMQY-UHFFFAOYSA-N 28 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-hydroxypentyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 8 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1.4 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=28 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=28&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009298 8030003 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 9 CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCC)C1=O InChI=1S/C27H38N2O3/c1-3-5-17-28-23(19-21-13-9-7-10-14-21)25(30)26(31)24(20-22-15-11-8-12-16-22)29(27(28)32)18-6-4-2/h7-16,23-26,30-31H,3-6,17-20H2,1-2H3 USVBEQBEZXWMMT-UHFFFAOYSA-N 29 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-dibutyl-5,6-dihydroxy-1,3-diazepan-2-one::CHEMBL284472::DMPC Cyclic Urea 9 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1.6 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=29 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=29&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463323 8030002 CHEMBL284472 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 10 [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-1=O InChI=1S/C29H14N2O3/c1-21(2)15-17-30-25(19-23-11-7-5-8-12-23)27(32)28(33)26(20-24-13-9-6-10-14-24)31(29(30)34)18-16-22(3)4/h5-14,25-28H QFKPDQNHNPQKPI-UHFFFAOYSA-N 30 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbut-2-en-1-yl)-1,3-diazepan-2-one::DMPC Cyclic Urea 10 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1.8 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=30 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=30&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 469353 8030001 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 11 [#6]-[#6]-[#6]-[#6]-[#7]-1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6]-1=O InChI=1S/C28H14N2O3/c1-4-5-17-29-24(19-22-12-8-6-9-13-22)26(31)27(32)25(20-23-14-10-7-11-15-23)30(28(29)33)18-16-21(2)3/h6-15,24-27H HPBPHXJLAGALLM-UHFFFAOYSA-N 31 (4R,5S,6S,7R)-4,7-dibenzyl-1-butyl-5,6-dihydroxy-3-(3-methylbut-2-en-1-yl)-1,3-diazepan-2-one::DMPC Cyclic Urea 11 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1.9 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=31 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=31&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327232 8030000 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 12 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C(=O)N(CC2CC2)[C@@H]1Cc1ccccc1 InChI=1S/C27H34N2O3/c30-25-23(15-19-7-3-1-4-8-19)28(17-21-11-12-21)27(32)29(18-22-13-14-22)24(26(25)31)16-20-9-5-2-6-10-20/h1-10,21-26,30-31H,11-18H2 YMTOUOZOBVYCFQ-UHFFFAOYSA-N 32 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclopropylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one::CHEMBL431306::DMPC Cyclic Urea 12 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1.9 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=32 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=32&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 454923 8029999 CHEMBL431306 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 13 OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCO)C1=O InChI=1S/C31H46N2O5/c34-21-13-3-1-11-19-32-27(23-25-15-7-5-8-16-25)29(36)30(37)28(24-26-17-9-6-10-18-26)33(31(32)38)20-12-2-4-14-22-35/h5-10,15-18,27-30,34-37H,1-4,11-14,19-24H2 LUWZWPBFBGGXGY-UHFFFAOYSA-N 33 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(6-hydroxyhexyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 13 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1.9 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=33 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=33&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009299 8029998 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 14 [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]-2-[#6]-[#6]-2)-[#6]-1=O InChI=1S/C28H14N2O3/c1-20(2)15-16-29-24(17-21-9-5-3-6-10-21)26(31)27(32)25(18-22-11-7-4-8-12-22)30(28(29)33)19-23-13-14-23/h3-12,24-27H DEHCWASQMYQZFW-UHFFFAOYSA-N 34 (4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopropylmethyl)-5,6-dihydroxy-3-(3-methylbut-2-en-1-yl)-1,3-diazepan-2-one::DMPC Cyclic Urea 14 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 2 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=34 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=34&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327231 8029997 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15 OC(Br)CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC(O)Br)C1=O InChI=1S/C31H44Br2N2O5/c32-27(36)17-9-3-11-19-34-25(21-23-13-5-1-6-14-23)29(38)30(39)26(22-24-15-7-2-8-16-24)35(31(34)40)20-12-4-10-18-28(33)37/h1-2,5-8,13-16,25-30,36-39H,3-4,9-12,17-22H2 JHBZEJFCXWXNHI-UHFFFAOYSA-N 35 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(6-bromo-6-hydroxyhexyl)-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 15 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 2 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=35&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327230 8029996 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 16 CS(=O)(=O)CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCO)C1=O InChI=1S/C30H44N2O6S/c1-39(37,38)21-13-5-11-19-32-27(23-25-16-8-3-9-17-25)29(35)28(34)26(22-24-14-6-2-7-15-24)31(30(32)36)18-10-4-12-20-33/h2-3,6-9,14-17,26-29,33-35H,4-5,10-13,18-23H2,1H3 WOSXSJHAZUAABD-UHFFFAOYSA-N 36 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-(5-hydroxypentyl)-1-(5-methanesulfonylpentyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 16 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 2.1 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=36 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=36&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327229 8029995 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 17 OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCO)C1=O InChI=1S/C30H44N2O5/c33-20-12-2-1-10-18-31-26(22-24-14-6-3-7-15-24)28(35)29(36)27(23-25-16-8-4-9-17-25)32(30(31)37)19-11-5-13-21-34/h3-4,6-9,14-17,26-29,33-36H,1-2,5,10-13,18-23H2 DDHHIIFVUPKDPX-UHFFFAOYSA-N 37 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-(6-hydroxyhexyl)-3-(5-hydroxypentyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 17 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 2.2 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=37 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=37&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327228 8029994 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 18 [#6]\[#6](-[#6])=[#6]\[#6]-[#7]-1-[#6@H](-[#6]-c2ccccc2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@@H](-[#6]-c2ccccc2)-[#7](-[#6]-[#6]=[#6])-[#6]-1=O InChI=1S/C27H14N2O3/c1-4-16-28-23(18-21-11-7-5-8-12-21)25(30)26(31)24(19-22-13-9-6-10-14-22)29(27(28)32)17-15-20(2)3/h5-14,23-26H IBLWMSFGMOGYBM-UHFFFAOYSA-N 38 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-(3-methylbut-2-en-1-yl)-1-(prop-2-en-1-yl)-1,3-diazepan-2-one::DMPC Cyclic Urea 18 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 2.3 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=38&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327227 8029993 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 19 CC(O)CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC(C)O)C1=O InChI=1S/C31H46N2O5/c1-23(34)13-9-11-19-32-27(21-25-15-5-3-6-16-25)29(36)30(37)28(22-26-17-7-4-8-18-26)33(31(32)38)20-12-10-14-24(2)35/h3-8,15-18,23-24,27-30,34-37H,9-14,19-22H2,1-2H3 AKQNCFFQZVSLCC-UHFFFAOYSA-N 39 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-hydroxyhexyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 19 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 2.4 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=39 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=39&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327226 8029992 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 20 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CCCC2)C(=O)N(CC=C)[C@@H]1Cc1ccccc1 InChI=1S/C28H36N2O3/c1-2-17-29-24(18-21-11-5-3-6-12-21)26(31)27(32)25(19-22-13-7-4-8-14-22)30(28(29)33)20-23-15-9-10-16-23/h2-8,11-14,23-27,31-32H,1,9-10,15-20H2 KCFMBKBBZJZMLP-UHFFFAOYSA-N 40 (4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopentylmethyl)-5,6-dihydroxy-3-(prop-2-en-1-yl)-1,3-diazepan-2-one::DMPC Cyclic Urea 20 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 3.5 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=40 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=40&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327225 8029991 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 21 CS(=O)CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCO)C1=O InChI=1S/C30H44N2O5S/c1-38(37)21-13-5-11-19-32-27(23-25-16-8-3-9-17-25)29(35)28(34)26(22-24-14-6-2-7-15-24)31(30(32)36)18-10-4-12-20-33/h2-3,6-9,14-17,26-29,33-35H,4-5,10-13,18-23H2,1H3 BSTHIZRFCYURQH-UHFFFAOYSA-N 41 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-(5-hydroxypentyl)-1-(5-methanesulfinylpentyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 21 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 3.5 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=41 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=41&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327224 8029990 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 22 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C(=O)N(CC=C)[C@@H]1Cc1ccccc1 InChI=1S/C26H32N2O3/c1-2-15-27-22(16-19-9-5-3-6-10-19)24(29)25(30)23(17-20-11-7-4-8-12-20)28(26(27)31)18-21-13-14-21/h2-12,21-25,29-30H,1,13-18H2 MLILSMSYLHSTCQ-UHFFFAOYSA-N 42 (4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopropylmethyl)-5,6-dihydroxy-3-(prop-2-en-1-yl)-1,3-diazepan-2-one::DMPC Cyclic Urea 22 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 3.7 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=42 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=42&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327221 8029987 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 23 OCC(O)CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC(O)CO)C1=O InChI=1S/C31H46N2O7/c34-21-25(36)15-7-9-17-32-27(19-23-11-3-1-4-12-23)29(38)30(39)28(20-24-13-5-2-6-14-24)33(31(32)40)18-10-8-16-26(37)22-35/h1-6,11-14,25-30,34-39H,7-10,15-22H2 MHPLIQPYLFRDSQ-UHFFFAOYSA-N 43 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(5,6-dihydroxyhexyl)-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 23 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 3.9 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=43 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=43&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327220 8029986 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 24 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CCCC2)C(=O)N(CC2CCCC2)[C@@H]1Cc1ccccc1 InChI=1S/C31H42N2O3/c34-29-27(19-23-11-3-1-4-12-23)32(21-25-15-7-8-16-25)31(36)33(22-26-17-9-10-18-26)28(30(29)35)20-24-13-5-2-6-14-24/h1-6,11-14,25-30,34-35H,7-10,15-22H2 QZTNLTALZBMNPA-UHFFFAOYSA-N 44 CHEMBL287274::(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclopentylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 24 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 4 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=44 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=44&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463336 8029984 CHEMBL287274 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 25 CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC=C)C1=O InChI=1S/C26H34N2O3/c1-3-5-17-28-23(19-21-14-10-7-11-15-21)25(30)24(29)22(27(16-4-2)26(28)31)18-20-12-8-6-9-13-20/h4,6-15,22-25,29-30H,2-3,5,16-19H2,1H3 RBIWFYGQJSVKBO-UHFFFAOYSA-N 45 (4R,5S,6S,7R)-4,7-dibenzyl-1-butyl-5,6-dihydroxy-3-(prop-2-en-1-yl)-1,3-diazepan-2-one::DMPC Cyclic Urea 25 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 4.1 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=45 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=45&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327219 8029983 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 26 CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC)C1=O InChI=1S/C29H42N2O3/c1-3-5-13-19-30-25(21-23-15-9-7-10-16-23)27(32)28(33)26(22-24-17-11-8-12-18-24)31(29(30)34)20-14-6-4-2/h7-12,15-18,25-28,32-33H,3-6,13-14,19-22H2,1-2H3 MQXUJTOWJYVUBG-UHFFFAOYSA-N 46 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-dipentyl-1,3-diazepan-2-one::CHEMBL420054::DMPC Cyclic Urea 26 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 4.1 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=46 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=46&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463324 8029982 CHEMBL420054 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 27 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CCCC2)C(=O)N(CC2CC2)[C@@H]1Cc1ccccc1 InChI=1S/C29H38N2O3/c32-27-25(17-21-9-3-1-4-10-21)30(19-23-13-7-8-14-23)29(34)31(20-24-15-16-24)26(28(27)33)18-22-11-5-2-6-12-22/h1-6,9-12,23-28,32-33H,7-8,13-20H2 ZVCYAYFZGSWKCW-UHFFFAOYSA-N 47 (4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopentylmethyl)-3-(cyclopropylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 27 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 4.1 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=47 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=47&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327218 8029981 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 28 COC(=O)CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC(O)=O)C1=O InChI=1S/C32H44N2O7/c1-41-29(37)19-11-5-13-21-34-27(23-25-16-8-3-9-17-25)31(39)30(38)26(22-24-14-6-2-7-15-24)33(32(34)40)20-12-4-10-18-28(35)36/h2-3,6-9,14-17,26-27,30-31,38-39H,4-5,10-13,18-23H2,1H3,(H,35,36) UOQMTCQFQIUGCW-UHFFFAOYSA-N 48 6-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-(6-methoxy-6-oxohexyl)-2-oxo-1,3-diazepan-1-yl]hexanoic acid::DMPC Cyclic Urea 28 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 4.3 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=48 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=48&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327217 8029980 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 29 CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CCCC2)C1=O InChI=1S/C29H40N2O3/c1-2-3-18-30-25(19-22-12-6-4-7-13-22)27(32)28(33)26(20-23-14-8-5-9-15-23)31(29(30)34)21-24-16-10-11-17-24/h4-9,12-15,24-28,32-33H,2-3,10-11,16-21H2,1H3 DUDCFZLRJBOUDU-UHFFFAOYSA-N 49 (4R,5S,6S,7R)-4,7-dibenzyl-1-butyl-3-(cyclopentylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 29 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 4.6 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=49 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=49&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327216 8029979 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 30 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC=C)C(=O)N(CC=C)[C@@H]1Cc1ccccc1 InChI=1S/C25H30N2O3/c1-3-15-26-21(17-19-11-7-5-8-12-19)23(28)24(29)22(27(16-4-2)25(26)30)18-20-13-9-6-10-14-20/h3-14,21-24,28-29H,1-2,15-18H2 IWJSQELMWLOYSO-UHFFFAOYSA-N 152 CHEMBL284314::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(prop-2-en-1-yl)-1,3-diazepan-2-one::XK216 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 4.6 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=152 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=152&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 446158 8030080 CHEMBL284314 DB06910 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 31 CCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC)C1=O InChI=1S/C31H46N2O3/c1-3-5-7-15-21-32-27(23-25-17-11-9-12-18-25)29(34)30(35)28(24-26-19-13-10-14-20-26)33(31(32)36)22-16-8-6-4-2/h9-14,17-20,27-30,34-35H,3-8,15-16,21-24H2,1-2H3 YKPHAYCUAMAQPA-UHFFFAOYSA-N 51 CHEMBL314052::(4R,5S,6S,7R)-4,7-dibenzyl-1,3-dihexyl-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 31 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 4.6 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=51 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=51&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463325 8029978 CHEMBL314052 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 32 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2)C(=O)N(C\C=C\c2ccccc2)[C@@H]1Cc1ccccc1 InChI=1S/C32H36N2O3/c35-30-28(21-25-13-6-2-7-14-25)33(20-10-17-24-11-4-1-5-12-24)32(37)34(23-27-18-19-27)29(31(30)36)22-26-15-8-3-9-16-26/h1-17,27-31,35-36H,18-23H2 JQIJRUHAAZUJCS-UHFFFAOYSA-N 52 (4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopropylmethyl)-5,6-dihydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]-1,3-diazepan-2-one::DMPC Cyclic Urea 32 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 4.6 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=52 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=52&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327215 8029976 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 33 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C\C=C\c2ccccc2)C(=O)N(C\C=C\c2ccccc2)[C@@H]1Cc1ccccc1 InChI=1S/C37H38N2O3/c40-35-33(27-31-19-9-3-10-20-31)38(25-13-23-29-15-5-1-6-16-29)37(42)39(26-14-24-30-17-7-2-8-18-30)34(36(35)41)28-32-21-11-4-12-22-32/h1-24,33-36,40-41H,25-28H2 PQAGQBVFTNIPFE-UHFFFAOYSA-N 53 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(2E)-3-phenylprop-2-en-1-yl]-1,3-diazepan-2-one::DMPC Cyclic Urea 33 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 4.7 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=53 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=53&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327214 8029975 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 34 CNC(=O)OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCO)C1=O InChI=1S/C33H49N3O6/c1-34-32(40)42-23-15-5-3-13-21-36-29(25-27-18-10-7-11-19-27)31(39)30(38)28(24-26-16-8-6-9-17-26)35(33(36)41)20-12-2-4-14-22-37/h6-11,16-19,28-31,37-39H,2-5,12-15,20-25H2,1H3,(H,34,40) ZCPUINNVBUMJTM-UHFFFAOYSA-N 54 6-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-(6-hydroxyhexyl)-2-oxo-1,3-diazepan-1-yl]hexyl N-methylcarbamate::DMPC Cyclic Urea 34 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 5.2 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=54 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=54&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327213 8029974 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 36 CNC(=O)n1cc(\C=C\CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(C\C=C\c3cnn(c3)C(=O)NC)C2=O)cn1 InChI=1S/C35H40N8O5/c1-36-33(46)42-23-27(21-38-42)15-9-17-40-29(19-25-11-5-3-6-12-25)31(44)32(45)30(20-26-13-7-4-8-14-26)41(35(40)48)18-10-16-28-22-39-43(24-28)34(47)37-2/h3-16,21-24,29-32,44-45H,17-20H2,1-2H3,(H,36,46)(H,37,47) IKEFCSLYZCHDLJ-UHFFFAOYSA-N 56 4-[(1E)-3-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[(2E)-3-[1-(methylcarbamoyl)-1H-pyrazol-4-yl]prop-2-en-1-yl]-2-oxo-1,3-diazepan-1-yl]prop-1-en-1-yl]-N-methyl-1H-pyrazole-1-carboxamide::DMPC Cyclic Urea 36 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 6.9 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=56 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=56&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327212 8029973 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 37 CC(C)CCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCC(C)C)C1=O InChI=1S/C31H46N2O3/c1-23(2)13-11-19-32-27(21-25-15-7-5-8-16-25)29(34)30(35)28(22-26-17-9-6-10-18-26)33(31(32)36)20-12-14-24(3)4/h5-10,15-18,23-24,27-30,34-35H,11-14,19-22H2,1-4H3 LYOGIXRQACPKHV-UHFFFAOYSA-N 57 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-methylpentyl)-1,3-diazepan-2-one::CHEMBL314984::DMPC Cyclic Urea 37 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 7 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=57 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=57&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463332 8029972 CHEMBL314984 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 38 COCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCO)C1=O InChI=1S/C30H44N2O5/c1-37-21-13-5-11-19-32-27(23-25-16-8-3-9-17-25)29(35)28(34)26(22-24-14-6-2-7-15-24)31(30(32)36)18-10-4-12-20-33/h2-3,6-9,14-17,26-29,33-35H,4-5,10-13,18-23H2,1H3 KSJSYHIMFKBWLA-UHFFFAOYSA-N 58 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-(5-hydroxypentyl)-1-(5-methoxypentyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 38 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 7.8 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=58 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=58&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327211 8029971 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 39 CCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCC)C1=O InChI=1S/C25H34N2O3/c1-3-15-26-21(17-19-11-7-5-8-12-19)23(28)24(29)22(27(16-4-2)25(26)30)18-20-13-9-6-10-14-20/h5-14,21-24,28-29H,3-4,15-18H2,1-2H3 KVURTRGFRUMHJA-UHFFFAOYSA-N 59 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-dipropyl-1,3-diazepan-2-one::CHEMBL32733::DMPC Cyclic Urea 39 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 8 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=59 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=59&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463322 8029970 CHEMBL32733 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 40 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)OCc2cccnc2)C(=O)N(CCCCCNC(=O)OCc2cccnc2)[C@@H]1Cc1ccccc1 InChI=1S/C43H54N6O7/c50-39-37(27-33-15-5-1-6-16-33)48(25-11-3-9-23-46-41(52)55-31-35-19-13-21-44-29-35)43(54)49(38(40(39)51)28-34-17-7-2-8-18-34)26-12-4-10-24-47-42(53)56-32-36-20-14-22-45-30-36/h1-2,5-8,13-22,29-30,37-40,50-51H,3-4,9-12,23-28,31-32H2,(H,46,52)(H,47,53) FESAQXBIUJPCIL-UHFFFAOYSA-N 60 pyridin-3-ylmethyl N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-(5-{[(pyridin-3-ylmethoxy)carbonyl]amino}pentyl)-1,3-diazepan-1-yl]pentyl}carbamate dihydrate dihydrochloride::DMPC Cyclic Urea 40 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 8.9 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=60 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=60&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327210 8029969 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 41 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC=C)C(=O)N(CCCCC=C)[C@@H]1Cc1ccccc1 InChI=1S/C31H42N2O3/c1-3-5-7-15-21-32-27(23-25-17-11-9-12-18-25)29(34)30(35)28(24-26-19-13-10-14-20-26)33(31(32)36)22-16-8-6-4-2/h3-4,9-14,17-20,27-30,34-35H,1-2,5-8,15-16,21-24H2 BTUVWXBOQBUYMH-UHFFFAOYSA-N 61 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(hex-5-en-1-yl)-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 41 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 9.1 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=61 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=61&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327208 8029968 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 42 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)Oc2ccc(cc2)[N+]([O-])=O)C(=O)N(CCCCCNC(=O)OCc2ccncc2)[C@@H]1Cc1ccccc1 InChI=1S/C43H52N6O9/c50-39-37(29-32-13-5-1-6-14-32)47(27-11-3-9-23-45-41(52)57-31-34-21-25-44-26-22-34)43(54)48(38(40(39)51)30-33-15-7-2-8-16-33)28-12-4-10-24-46-42(53)58-36-19-17-35(18-20-36)49(55)56/h1-2,5-8,13-22,25-26,37-40,50-51H,3-4,9-12,23-24,27-31H2,(H,45,52)(H,46,53) LEMVHGOJSMIBIE-UHFFFAOYSA-N 62 4-nitrophenyl N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-(5-{[(pyridin-4-ylmethoxy)carbonyl]amino}pentyl)-1,3-diazepan-1-yl]pentyl}carbamate::DMPC Cyclic Urea 42 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 10 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=62 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=62&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327207 8029967 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 43 CC(C)CCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCC(C)C)C1=O InChI=1S/C29H42N2O3/c1-21(2)15-17-30-25(19-23-11-7-5-8-12-23)27(32)28(33)26(20-24-13-9-6-10-14-24)31(29(30)34)18-16-22(3)4/h5-14,21-22,25-28,32-33H,15-20H2,1-4H3 VNWDQLNHUXTPLV-UHFFFAOYSA-N 63 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-methylbutyl)-1,3-diazepan-2-one::CHEMBL284491::DMPC Cyclic Urea 43 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 12 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=63 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=63&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463331 8029966 CHEMBL284491 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 44 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC2CO2)C(=O)N(CCCCC2CO2)[C@@H]1Cc1ccccc1 InChI=1S/C31H42N2O5/c34-29-27(19-23-11-3-1-4-12-23)32(17-9-7-15-25-21-37-25)31(36)33(18-10-8-16-26-22-38-26)28(30(29)35)20-24-13-5-2-6-14-24/h1-6,11-14,25-30,34-35H,7-10,15-22H2 MUTHQDJRBVUBPD-UHFFFAOYSA-N 64 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[4-(oxiran-2-yl)butyl]-1,3-diazepan-2-one::DMPC Cyclic Urea 44 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 12 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=64 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=64&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327206 8029965 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 45 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2cccc(c2)C(F)(F)F)C(=O)N(CCCCCNC(=O)c2cccc(c2)C(F)(F)F)[C@@H]1Cc1ccccc1 InChI=1S/C45H50F6N4O5/c46-44(47,48)35-21-13-19-33(29-35)41(58)52-23-9-3-11-25-54-37(27-31-15-5-1-6-16-31)39(56)40(57)38(28-32-17-7-2-8-18-32)55(43(54)60)26-12-4-10-24-53-42(59)34-20-14-22-36(30-34)45(49,50)51/h1-2,5-8,13-22,29-30,37-40,56-57H,3-4,9-12,23-28H2,(H,52,58)(H,53,59) VDZJTPNTOORHAL-UHFFFAOYSA-N 65 N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-(5-{[3-(trifluoromethyl)phenyl]formamido}pentyl)-1,3-diazepan-1-yl]pentyl}-3-(trifluoromethyl)benzamide::DMPC Cyclic Urea 45 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 12 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=65 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=65&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327202 8029961 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 46 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)Nc2ccccc2)C(=O)N(CCCCCNC(=O)Nc2ccccc2)[C@@H]1Cc1ccccc1 InChI=1S/C43H54N6O5/c50-39-37(31-33-19-7-1-8-20-33)48(29-17-5-15-27-44-41(52)46-35-23-11-3-12-24-35)43(54)49(38(40(39)51)32-34-21-9-2-10-22-34)30-18-6-16-28-45-42(53)47-36-25-13-4-14-26-36/h1-4,7-14,19-26,37-40,50-51H,5-6,15-18,27-32H2,(H2,44,46,52)(H2,45,47,53) VYJOVOPANSNQSP-UHFFFAOYSA-N 66 1-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-{5-[(phenylcarbamoyl)amino]pentyl}-1,3-diazepan-1-yl]pentyl}-3-phenylurea::DMPC Cyclic Urea 46 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 14 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=66 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=66&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327203 8029962 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 47 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2cccc(F)c2)C(=O)N(CCCCCNC(=O)c2cccc(F)c2)[C@@H]1Cc1ccccc1 InChI=1S/C43H50F2N4O5/c44-35-21-13-19-33(29-35)41(52)46-23-9-3-11-25-48-37(27-31-15-5-1-6-16-31)39(50)40(51)38(28-32-17-7-2-8-18-32)49(43(48)54)26-12-4-10-24-47-42(53)34-20-14-22-36(45)30-34/h1-2,5-8,13-22,29-30,37-40,50-51H,3-4,9-12,23-28H2,(H,46,52)(H,47,53) SXZREBMMGUVYHI-UHFFFAOYSA-N 67 N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-3-{5-[(3-fluorophenyl)formamido]pentyl}-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]pentyl}-3-fluorobenzamide::DMPC Cyclic Urea 47 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 14 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=67 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=67&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009311 8029963 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 48 C\C(CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCC\C(C)=N/O)C1=O)=N\O InChI=1S/C31H44N4O5/c1-23(32-39)13-9-11-19-34-27(21-25-15-5-3-6-16-25)29(36)30(37)28(22-26-17-7-4-8-18-26)35(31(34)38)20-12-10-14-24(2)33-40/h3-8,15-18,27-30,36-37,39-40H,9-14,19-22H2,1-2H3 PUSZPQJRFIVTJI-UHFFFAOYSA-N 68 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(5Z)-5-(hydroxyimino)hexyl]-1,3-diazepan-2-one::DMPC Cyclic Urea 48 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 15 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=68 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=68&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327201 8029960 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 49 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2ccncc2)C(=O)N(CCCCCNC(=O)c2ccncc2)[C@@H]1Cc1ccccc1 InChI=1S/C41H50N6O5/c48-37-35(29-31-13-5-1-6-14-31)46(27-11-3-9-21-44-39(50)33-17-23-42-24-18-33)41(52)47(36(38(37)49)30-32-15-7-2-8-16-32)28-12-4-10-22-45-40(51)34-19-25-43-26-20-34/h1-2,5-8,13-20,23-26,35-38,48-49H,3-4,9-12,21-22,27-30H2,(H,44,50)(H,45,51) QUUQERMKKZCHEO-UHFFFAOYSA-N 69 CHEMBL282395::N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[5-(pyridin-4-ylformamido)pentyl]-1,3-diazepan-1-yl]pentyl}pyridine-4-carboxamide dihydrochloride::DMPC Cyclic Urea 49 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 16 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=69 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=69&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009322 8029958 CHEMBL282395 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 50 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2ccc(F)cc2)C(=O)N(CCCCCNC(=O)c2ccc(F)cc2)[C@@H]1Cc1ccccc1 InChI=1S/C43H50F2N4O5/c44-35-21-17-33(18-22-35)41(52)46-25-9-3-11-27-48-37(29-31-13-5-1-6-14-31)39(50)40(51)38(30-32-15-7-2-8-16-32)49(43(48)54)28-12-4-10-26-47-42(53)34-19-23-36(45)24-20-34/h1-2,5-8,13-24,37-40,50-51H,3-4,9-12,25-30H2,(H,46,52)(H,47,53) VMAACENPBLBGNM-UHFFFAOYSA-N 70 N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-3-{5-[(4-fluorophenyl)formamido]pentyl}-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]pentyl}-4-fluorobenzamide::DMPC Cyclic Urea 50 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 18 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=70 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=70&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009312 8029959 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 51 OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCCl)C1=O InChI=1S/C31H45ClN2O4/c32-19-11-1-2-12-20-33-27(23-25-15-7-5-8-16-25)29(36)30(37)28(24-26-17-9-6-10-18-26)34(31(33)38)21-13-3-4-14-22-35/h5-10,15-18,27-30,35-37H,1-4,11-14,19-24H2 UJPXEKCVJBRCHQ-UHFFFAOYSA-N 71 (4R,5S,6S,7R)-4,7-dibenzyl-1-(6-chlorohexyl)-5,6-dihydroxy-3-(6-hydroxyhexyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 51 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 19 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=71 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=71&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327199 8029957 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 52 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2cc(F)cc(F)c2)C(=O)N(CCCCCNC(=O)c2cc(F)cc(F)c2)[C@@H]1Cc1ccccc1 InChI=1S/C43H48F4N4O5/c44-33-23-31(24-34(45)27-33)41(54)48-17-9-3-11-19-50-37(21-29-13-5-1-6-14-29)39(52)40(53)38(22-30-15-7-2-8-16-30)51(43(50)56)20-12-4-10-18-49-42(55)32-25-35(46)28-36(47)26-32/h1-2,5-8,13-16,23-28,37-40,52-53H,3-4,9-12,17-22H2,(H,48,54)(H,49,55) QGUANZMTSJRLAD-UHFFFAOYSA-N 72 N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-3-{5-[(3,5-difluorophenyl)formamido]pentyl}-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]pentyl}-3,5-difluorobenzamide::DMPC Cyclic Urea 52 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 21 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=72 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=72&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327198 8029956 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 53 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC(Br)Br)C(=O)N(CCCCCC(Br)Br)[C@@H]1Cc1ccccc1 InChI=1S/C31H42Br4N2O3/c32-27(33)17-9-3-11-19-36-25(21-23-13-5-1-6-14-23)29(38)30(39)26(22-24-15-7-2-8-16-24)37(31(36)40)20-12-4-10-18-28(34)35/h1-2,5-8,13-16,25-30,38-39H,3-4,9-12,17-22H2 ICZAKUIGRWRENM-UHFFFAOYSA-N 73 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(6,6-dibromohexyl)-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 53 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 25 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=73 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=73&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327197 8029955 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 54 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C\C=C\c2ccccc2O)C(=O)N(C\C=C\c2ccccc2O)[C@@H]1Cc1ccccc1 InChI=1S/C37H38N2O5/c40-33-21-9-7-17-29(33)19-11-23-38-31(25-27-13-3-1-4-14-27)35(42)36(43)32(26-28-15-5-2-6-16-28)39(37(38)44)24-12-20-30-18-8-10-22-34(30)41/h1-22,31-32,35-36,40-43H,23-26H2 GRMLFZVLLOPZDI-UHFFFAOYSA-N 74 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(2E)-3-(2-hydroxyphenyl)prop-2-en-1-yl]-1,3-diazepan-2-one::DMPC Cyclic Urea 54 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 25 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=74 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=74&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327194 8029951 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 55 CSCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCO)C1=O InChI=1S/C30H44N2O4S/c1-37-21-13-5-11-19-32-27(23-25-16-8-3-9-17-25)29(35)28(34)26(22-24-14-6-2-7-15-24)31(30(32)36)18-10-4-12-20-33/h2-3,6-9,14-17,26-29,33-35H,4-5,10-13,18-23H2,1H3 MCFIUZLETGOEDA-UHFFFAOYSA-N 75 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-(5-hydroxypentyl)-3-[5-(methylsulfanyl)pentyl]-1,3-diazepan-2-one::DMPC Cyclic Urea 55 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 26 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=75 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=75&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327238 8030013 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 56 COC(=O)CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC(=O)OC)C1=O InChI=1S/C33H46N2O7/c1-41-29(36)19-11-5-13-21-34-27(23-25-15-7-3-8-16-25)31(38)32(39)28(24-26-17-9-4-10-18-26)35(33(34)40)22-14-6-12-20-30(37)42-2/h3-4,7-10,15-18,27-28,31-32,38-39H,5-6,11-14,19-24H2,1-2H3 BVXWMYQTUQMUTR-UHFFFAOYSA-N 76 methyl 6-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-(6-methoxy-6-oxohexyl)-2-oxo-1,3-diazepan-1-yl]hexanoate::DMPC Cyclic Urea 56 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 29 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=76 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=76&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009305 8030014 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 57 CC(C)CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC(C)C)C1=O InChI=1S/C33H50N2O3/c1-25(2)15-11-13-21-34-29(23-27-17-7-5-8-18-27)31(36)32(37)30(24-28-19-9-6-10-20-28)35(33(34)38)22-14-12-16-26(3)4/h5-10,17-20,25-26,29-32,36-37H,11-16,21-24H2,1-4H3 DRAQQTVGOMUDKD-UHFFFAOYSA-N 77 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-methylhexyl)-1,3-diazepan-2-one::CHEMBL316256::DMPC Cyclic Urea 57 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 30 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=77 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=77&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463333 8030015 CHEMBL316256 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 58 CNS(=O)(=O)OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCO)C1=O InChI=1S/C32H49N3O7S/c1-33-43(40,41)42-23-15-5-3-13-21-35-29(25-27-18-10-7-11-19-27)31(38)30(37)28(24-26-16-8-6-9-17-26)34(32(35)39)20-12-2-4-14-22-36/h6-11,16-19,28-31,33,36-38H,2-5,12-15,20-25H2,1H3 MLADZSJIDPANMX-UHFFFAOYSA-N 78 6-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-(6-hydroxyhexyl)-2-oxo-1,3-diazepan-1-yl]hexyl N-methylsulfamate::DMPC Cyclic Urea 58 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 31 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=78 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=78&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327239 8030016 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 59 CC(=O)OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCO)C1=O InChI=1S/C33H48N2O6/c1-26(37)41-23-15-5-3-13-21-35-30(25-28-18-10-7-11-19-28)32(39)31(38)29(24-27-16-8-6-9-17-27)34(33(35)40)20-12-2-4-14-22-36/h6-11,16-19,29-32,36,38-39H,2-5,12-15,20-25H2,1H3 WYVYCMXAYLZDQL-UHFFFAOYSA-N 79 6-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-(6-hydroxyhexyl)-2-oxo-1,3-diazepan-1-yl]hexyl acetate::DMPC Cyclic Urea 59 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 32 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=79 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=79&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327240 8030017 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 60 OCC1CC1CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CC2CO)C1=O InChI=1S/C29H38N2O5/c32-17-23-13-21(23)15-30-25(11-19-7-3-1-4-8-19)27(34)28(35)26(12-20-9-5-2-6-10-20)31(29(30)36)16-22-14-24(22)18-33/h1-10,21-28,32-35H,11-18H2 HSLUVHJCBOAUDF-UHFFFAOYSA-N 80 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[2-(hydroxymethyl)cyclopropyl]methyl})-1,3-diazepan-2-one::DMPC Cyclic Urea 60 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 33 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=80 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=80&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327241 8030018 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 61 OCCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCCO)C1=O InChI=1S/C33H50N2O5/c36-23-15-5-1-3-13-21-34-29(25-27-17-9-7-10-18-27)31(38)32(39)30(26-28-19-11-8-12-20-28)35(33(34)40)22-14-4-2-6-16-24-37/h7-12,17-20,29-32,36-39H,1-6,13-16,21-26H2 ULBYZNDXPCBOLF-UHFFFAOYSA-N 81 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(7-hydroxyheptyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 61 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 34 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=81&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009300 8030019 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 62 CNC(=O)CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC(=O)NC)C1=O InChI=1S/C33H48N4O5/c1-34-29(38)19-11-5-13-21-36-27(23-25-15-7-3-8-16-25)31(40)32(41)28(24-26-17-9-4-10-18-26)37(33(36)42)22-14-6-12-20-30(39)35-2/h3-4,7-10,15-18,27-28,31-32,40-41H,5-6,11-14,19-24H2,1-2H3,(H,34,38)(H,35,39) IGFDAOYJCCNRSG-UHFFFAOYSA-N 82 6-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[5-(methylcarbamoyl)pentyl]-2-oxo-1,3-diazepan-1-yl]-N-methylhexanamide::DMPC Cyclic Urea 62 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 35 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=82&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327242 8030020 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 63 CC(C)(C)CCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCC(C)(C)C)C1=O InChI=1S/C31H46N2O3/c1-30(2,3)17-19-32-25(21-23-13-9-7-10-14-23)27(34)28(35)26(22-24-15-11-8-12-16-24)33(29(32)36)20-18-31(4,5)6/h7-16,25-28,34-35H,17-22H2,1-6H3 VYSKDMAUVBQCBE-UHFFFAOYSA-N 83 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(3,3-dimethylbutyl)-5,6-dihydroxy-1,3-diazepan-2-one::CHEMBL315381::DMPC Cyclic Urea 63 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 36 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=83 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=83&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327243 8030021 CHEMBL315381 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 64 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC2CCCCC2)C(=O)N(CC2CCCCC2)[C@@H]1Cc1ccccc1 InChI=1S/C33H46N2O3/c36-31-29(21-25-13-5-1-6-14-25)34(23-27-17-9-3-10-18-27)33(38)35(24-28-19-11-4-12-20-28)30(32(31)37)22-26-15-7-2-8-16-26/h1-2,5-8,13-16,27-32,36-37H,3-4,9-12,17-24H2 FADBDGCGGLEUOC-UHFFFAOYSA-N 84 CHEMBL32828::(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(cyclohexylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 64 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 37 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=84 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=84&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463337 8030022 CHEMBL32828 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 65 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCc2ccccc2)C(=O)N(CCCc2ccccc2)[C@@H]1Cc1ccccc1 InChI=1S/C37H42N2O3/c40-35-33(27-31-19-9-3-10-20-31)38(25-13-23-29-15-5-1-6-16-29)37(42)39(26-14-24-30-17-7-2-8-18-30)34(36(35)41)28-32-21-11-4-12-22-32/h1-12,15-22,33-36,40-41H,13-14,23-28H2 IISGOMXPTXBGKW-UHFFFAOYSA-N 85 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-phenylpropyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 65 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 37 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=85&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327244 8030023 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 66 COCCOCn1cc(\C=C\CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(C\C=C\c3cnn(COCCOC)c3)C2=O)cn1 InChI=1S/C39H50N6O7/c1-49-19-21-51-29-42-27-33(25-40-42)15-9-17-44-35(23-31-11-5-3-6-12-31)37(46)38(47)36(24-32-13-7-4-8-14-32)45(39(44)48)18-10-16-34-26-41-43(28-34)30-52-22-20-50-2/h3-16,25-28,35-38,46-47H,17-24,29-30H2,1-2H3 GMCPYLZPVZCQFF-UHFFFAOYSA-N 86 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(2E)-3-{1-[(2-methoxyethoxy)methyl]-1H-pyrazol-4-yl}prop-2-en-1-yl]-1,3-diazepan-2-one::DMPC Cyclic Urea 66 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 40 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=86&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327245 8030024 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 67 OCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCO)C1=O InChI=1S/C27H38N2O5/c30-17-9-7-15-28-23(19-21-11-3-1-4-12-21)25(32)26(33)24(20-22-13-5-2-6-14-22)29(27(28)34)16-8-10-18-31/h1-6,11-14,23-26,30-33H,7-10,15-20H2 QNAMUDMCVZGMML-UHFFFAOYSA-N 87 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(4-hydroxybutyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 67 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 42 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=87 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=87&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009297 8030025 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 68 CNC(=O)OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCOC(=O)NC)C1=O InChI=1S/C35H52N4O7/c1-36-33(42)45-23-15-5-3-13-21-38-29(25-27-17-9-7-10-18-27)31(40)32(41)30(26-28-19-11-8-12-20-28)39(35(38)44)22-14-4-6-16-24-46-34(43)37-2/h7-12,17-20,29-32,40-41H,3-6,13-16,21-26H2,1-2H3,(H,36,42)(H,37,43) FZEYSAKGSQEVKR-UHFFFAOYSA-N 88 6-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{6-[(methylcarbamoyl)oxy]hexyl}-2-oxo-1,3-diazepan-1-yl]hexyl N-methylcarbamate::DMPC Cyclic Urea 68 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 46 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=88 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=88&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327246 8030026 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 69 CC(C)(O)CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC(C)(C)O)C1=O InChI=1S/C33H50N2O5/c1-32(2,39)19-11-13-21-34-27(23-25-15-7-5-8-16-25)29(36)30(37)28(24-26-17-9-6-10-18-26)35(31(34)38)22-14-12-20-33(3,4)40/h5-10,15-18,27-30,36-37,39-40H,11-14,19-24H2,1-4H3 UVMQENHVXVZWQX-UHFFFAOYSA-N 89 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-hydroxy-5-methylhexyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 69 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 46 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=89 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=89&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327247 8030027 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 70 C\C(=C/CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(C\C=C(/C)C(O)=O)C1=O)C(O)=O InChI=1S/C29H34N2O7/c1-19(27(34)35)13-15-30-23(17-21-9-5-3-6-10-21)25(32)26(33)24(18-22-11-7-4-8-12-22)31(29(30)38)16-14-20(2)28(36)37/h3-14,23-26,32-33H,15-18H2,1-2H3,(H,34,35)(H,36,37) ANMQVZAKIUOCAR-UHFFFAOYSA-N 90 (2E)-4-[(4R,5S,6S,7R)-4,7-dibenzyl-3-[(2E)-3-carboxy-3-methylprop-2-en-1-yl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]-2-methylbut-2-enoic acid::DMPC Cyclic Urea 70 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 47 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=90 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=90&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327248 8030029 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 71 CC(C)CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC(C)C)C1=O InChI=1S/C27H38N2O3/c1-19(2)17-28-23(15-21-11-7-5-8-12-21)25(30)26(31)24(16-22-13-9-6-10-14-22)29(27(28)32)18-20(3)4/h5-14,19-20,23-26,30-31H,15-18H2,1-4H3 FTNYZEKSGWZDIC-UHFFFAOYSA-N 91 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methylpropyl)-1,3-diazepan-2-one::CHEMBL86874::DMPC Cyclic Urea 71 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 49 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=91 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=91&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463330 8030028 CHEMBL86874 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 72 OCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCO)C1=O InChI=1S/C25H34N2O5/c28-15-7-13-26-21(17-19-9-3-1-4-10-19)23(30)24(31)22(18-20-11-5-2-6-12-20)27(25(26)32)14-8-16-29/h1-6,9-12,21-24,28-31H,7-8,13-18H2 IJCXSYFOPRLLCZ-UHFFFAOYSA-N 92 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-hydroxypropyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 72 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 51 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=92 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=92&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009296 8030030 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 73 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2ccccc2)C(=O)N(CCCCCNC(=O)c2ccccc2)[C@@H]1Cc1ccccc1 InChI=1S/C43H52N4O5/c48-39-37(31-33-19-7-1-8-20-33)46(29-17-5-15-27-44-41(50)35-23-11-3-12-24-35)43(52)47(38(40(39)49)32-34-21-9-2-10-22-34)30-18-6-16-28-45-42(51)36-25-13-4-14-26-36/h1-4,7-14,19-26,37-40,48-49H,5-6,15-18,27-32H2,(H,44,50)(H,45,51) HVCGCQVDUHANJA-UHFFFAOYSA-N 93 N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[5-(phenylformamido)pentyl]-1,3-diazepan-1-yl]pentyl}benzamide::DMPC Cyclic Urea 73 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 59 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=93 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=93&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009310 8030031 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 74 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCOC=C)C(=O)N(CCOC=C)[C@@H]1Cc1ccccc1 InChI=1S/C27H34N2O5/c1-3-33-17-15-28-23(19-21-11-7-5-8-12-21)25(30)26(31)24(20-22-13-9-6-10-14-22)29(27(28)32)16-18-34-4-2/h3-14,23-26,30-31H,1-2,15-20H2 VYANBIBLIUKGJH-UHFFFAOYSA-N 94 CHEMBL313599::(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[2-(ethenyloxy)ethyl]-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 74 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 60 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=94 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=94&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463355 8030032 CHEMBL313599 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 75 CC(=O)CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC(C)=O)C1=O InChI=1S/C31H42N2O5/c1-23(34)13-9-11-19-32-27(21-25-15-5-3-6-16-25)29(36)30(37)28(22-26-17-7-4-8-18-26)33(31(32)38)20-12-10-14-24(2)35/h3-8,15-18,27-30,36-37H,9-14,19-22H2,1-2H3 QEYSIQWBPKNYHP-UHFFFAOYSA-N 95 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-oxohexyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 75 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 70 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=95 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=95&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327249 8030033 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 76 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC#N)C(=O)N(CCCCC#N)[C@@H]1Cc1ccccc1 InChI=1S/C29H36N4O3/c30-17-9-3-11-19-32-25(21-23-13-5-1-6-14-23)27(34)28(35)26(22-24-15-7-2-8-16-24)33(29(32)36)20-12-4-10-18-31/h1-2,5-8,13-16,25-28,34-35H,3-4,9-12,19-22H2 YHBNJXDOWCKLMO-UHFFFAOYSA-N 96 5-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(4-cyanobutyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]pentanenitrile::DMPC Cyclic Urea 76 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 70 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=96 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=96&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327250 8030034 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 77 CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCc2ccccc2)C1=O InChI=1S/C31H38N2O3/c1-2-3-20-32-27(22-25-15-9-5-10-16-25)29(34)30(35)28(23-26-17-11-6-12-18-26)33(31(32)36)21-19-24-13-7-4-8-14-24/h4-18,27-30,34-35H,2-3,19-23H2,1H3 APTPAWBYQDCQND-UHFFFAOYSA-N 97 (4R,5S,6S,7R)-4,7-dibenzyl-1-butyl-5,6-dihydroxy-3-(2-phenylethyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 77 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 73 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=97 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=97&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327253 8030038 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 78 COCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCOC)C1=O InChI=1S/C31H46N2O5/c1-37-21-13-5-11-19-32-27(23-25-15-7-3-8-16-25)29(34)30(35)28(24-26-17-9-4-10-18-26)33(31(32)36)20-12-6-14-22-38-2/h3-4,7-10,15-18,27-30,34-35H,5-6,11-14,19-24H2,1-2H3 HIMYXPUMLAHVRJ-UHFFFAOYSA-N 98 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(5-methoxypentyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 78 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 96 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=98 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=98&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009306 8030039 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 79 CCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC)C1=O InChI=1S/C23H30N2O3/c1-3-24-19(15-17-11-7-5-8-12-17)21(26)22(27)20(25(4-2)23(24)28)16-18-13-9-6-10-14-18/h5-14,19-22,26-27H,3-4,15-16H2,1-2H3 ITHMKJIOEXGHDG-UHFFFAOYSA-N 99 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-diethyl-5,6-dihydroxy-1,3-diazepan-2-one::CHEMBL329184::DMPC Cyclic Urea 79 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 100 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=99 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=99&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463321 8030040 CHEMBL329184 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 80 CC(C)CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC(C)C)C1=O InChI=1S/C35H54N2O3/c1-27(2)17-9-7-15-23-36-31(25-29-19-11-5-12-20-29)33(38)34(39)32(26-30-21-13-6-14-22-30)37(35(36)40)24-16-8-10-18-28(3)4/h5-6,11-14,19-22,27-28,31-34,38-39H,7-10,15-18,23-26H2,1-4H3 LKCCOVZVNWPCLW-UHFFFAOYSA-N 100 CHEMBL420042::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(6-methylheptyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 80 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 110 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=100 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=100&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463334 8030041 CHEMBL420042 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 81 CNC(=O)OCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCOC(=O)NC)C1=O InChI=1S/C33H48N4O7/c1-34-31(40)43-21-13-5-11-19-36-27(23-25-15-7-3-8-16-25)29(38)30(39)28(24-26-17-9-4-10-18-26)37(33(36)42)20-12-6-14-22-44-32(41)35-2/h3-4,7-10,15-18,27-30,38-39H,5-6,11-14,19-24H2,1-2H3,(H,34,40)(H,35,41) YETCRWADEIUMHR-UHFFFAOYSA-N 101 5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{5-[(methylcarbamoyl)oxy]pentyl}-2-oxo-1,3-diazepan-1-yl]pentyl N-methylcarbamate::DMPC Cyclic Urea 81 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 110 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=101 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=101&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327254 8030042 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 82 CNC(=S)NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=S)NC)C1=O InChI=1S/C33H50N6O3S2/c1-34-31(43)36-19-11-5-13-21-38-27(23-25-15-7-3-8-16-25)29(40)30(41)28(24-26-17-9-4-10-18-26)39(33(38)42)22-14-6-12-20-37-32(44)35-2/h3-4,7-10,15-18,27-30,40-41H,5-6,11-14,19-24H2,1-2H3,(H2,34,36,43)(H2,35,37,44) VZSDXHRHGMNLAN-UHFFFAOYSA-N 102 1-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{5-[(methylcarbamothioyl)amino]pentyl}-2-oxo-1,3-diazepan-1-yl]pentyl}-3-methylthiourea::DMPC Cyclic Urea 82 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 110 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=102 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=102&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327255 8030043 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 83 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC=C)C(=O)N(CCCN2C(=O)c3ccccc3C2=O)[C@@H]1Cc1ccccc1 InChI=1S/C33H35N3O5/c1-2-18-34-27(21-23-12-5-3-6-13-23)29(37)30(38)28(22-24-14-7-4-8-15-24)35(33(34)41)19-11-20-36-31(39)25-16-9-10-17-26(25)32(36)40/h2-10,12-17,27-30,37-38H,1,11,18-22H2 YXKFPFQIDHAWAU-UHFFFAOYSA-N 103 2-{3-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-(prop-2-en-1-yl)-1,3-diazepan-1-yl]propyl}-2,3-dihydro-1H-isoindole-1,3-dione::DMPC Cyclic Urea 83 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 120 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=103 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=103&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327256 8030044 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 84 CC(C)(CO)CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCC(C)(C)CO)C1=O InChI=1S/C35H54N2O5/c1-34(2,25-38)19-11-13-21-36-29(23-27-15-7-5-8-16-27)31(40)32(41)30(24-28-17-9-6-10-18-28)37(33(36)42)22-14-12-20-35(3,4)26-39/h5-10,15-18,29-32,38-41H,11-14,19-26H2,1-4H3 HWTLVUXMVFQBIM-UHFFFAOYSA-N 104 2-amino-1-piperonyl-N-sec-butyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide::DMPC Cyclic Urea 84 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 125 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=104 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=104&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327257 8030045 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 85 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCC(N=O)c2ccc(F)cc2)C(=O)N(CCCC(N=O)c2ccc(F)cc2)[C@@H]1Cc1ccccc1 InChI=1S/C39H42F2N4O5/c40-31-19-15-29(16-20-31)33(42-49)13-7-23-44-35(25-27-9-3-1-4-10-27)37(46)38(47)36(26-28-11-5-2-6-12-28)45(39(44)48)24-8-14-34(43-50)30-17-21-32(41)22-18-30/h1-6,9-12,15-22,33-38,46-47H,7-8,13-14,23-26H2 KDIGFCCJEDREMI-UHFFFAOYSA-N 105 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[4-(4-fluorophenyl)-4-(hydroxyimino)butyl]-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 85 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 130 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=105 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=105&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 91895533 8030047 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 86 CNC(=O)OCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCOC(C)=O)C1=O InChI=1S/C35H51N3O7/c1-27(39)44-23-15-5-3-13-21-37-30(25-28-17-9-7-10-18-28)32(40)33(41)31(26-29-19-11-8-12-20-29)38(35(37)43)22-14-4-6-16-24-45-34(42)36-2/h7-12,17-20,30-33,40-41H,3-6,13-16,21-26H2,1-2H3,(H,36,42) DFDROWKHHMKEAZ-UHFFFAOYSA-N 106 6-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{6-[(methylcarbamoyl)oxy]hexyl}-2-oxo-1,3-diazepan-1-yl]hexyl acetate::DMPC Cyclic Urea 86 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 140 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=106 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=106&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327259 8030048 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 87 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)CN2CCOCC2)C(=O)N(CCCCCNC(=O)CN2CCOCC2)[C@@H]1Cc1ccccc1 InChI=1S/C41H62N6O7/c48-37(31-44-21-25-53-26-22-44)42-17-9-3-11-19-46-35(29-33-13-5-1-6-14-33)39(50)40(51)36(30-34-15-7-2-8-16-34)47(41(46)52)20-12-4-10-18-43-38(49)32-45-23-27-54-28-24-45/h1-2,5-8,13-16,35-36,39-40,50-51H,3-4,9-12,17-32H2,(H,42,48)(H,43,49) GDJYGAPASBSKFB-UHFFFAOYSA-N 107 N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{5-[1-(morpholin-4-yl)acetamido]pentyl}-2-oxo-1,3-diazepan-1-yl]pentyl}-2-(morpholin-4-yl)acetamide tetrahydrate dihydrochloride::DMPC Cyclic Urea 87 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 210 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=107 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=107&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327261 8030049 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 88 CS(=O)(=O)NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNS(C)(=O)=O)C1=O InChI=1S/C31H48N4O7S2/c1-43(39,40)32-19-11-5-13-21-34-27(23-25-15-7-3-8-16-25)29(36)30(37)28(24-26-17-9-4-10-18-26)35(31(34)38)22-14-6-12-20-33-44(2,41)42/h3-4,7-10,15-18,27-30,32-33,36-37H,5-6,11-14,19-24H2,1-2H3 SPFDDOLVNJYPAH-UHFFFAOYSA-N 108 N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-(5-methanesulfonamidopentyl)-2-oxo-1,3-diazepan-1-yl]pentyl}methanesulfonamide::DMPC Cyclic Urea 88 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 220 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=108 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=108&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009308 8030050 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 89 CNCC(=O)NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)CNC)C1=O InChI=1S/C35H54N6O5/c1-36-25-31(42)38-19-11-5-13-21-40-29(23-27-15-7-3-8-16-27)33(44)34(45)30(24-28-17-9-4-10-18-28)41(35(40)46)22-14-6-12-20-39-32(43)26-37-2/h3-4,7-10,15-18,29-30,33-34,36-37,44-45H,5-6,11-14,19-26H2,1-2H3,(H,38,42)(H,39,43) HXYGSLWOJMYBHA-UHFFFAOYSA-N 109 N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{5-[2-(methylamino)acetamido]pentyl}-2-oxo-1,3-diazepan-1-yl]pentyl}-2-(methylamino)acetamide dihydrochloride::DMPC Cyclic Urea 89 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 220 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=109 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=109&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327263 8030051 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 90 Cc1ccc(cc1)S(=O)(=O)NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNS(=O)(=O)c2ccc(C)cc2)C1=O InChI=1S/C43H56N4O7S2/c1-33-19-23-37(24-20-33)55(51,52)44-27-11-5-13-29-46-39(31-35-15-7-3-8-16-35)41(48)42(49)40(32-36-17-9-4-10-18-36)47(43(46)50)30-14-6-12-28-45-56(53,54)38-25-21-34(2)22-26-38/h3-4,7-10,15-26,39-42,44-45,48-49H,5-6,11-14,27-32H2,1-2H3 XSRRECGJLGJUCI-UHFFFAOYSA-N 110 N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{5-[(4-methylbenzene)sulfonamido]pentyl}-2-oxo-1,3-diazepan-1-yl]pentyl}-4-methylbenzene-1-sulfonamide::DMPC Cyclic Urea 90 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 240 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=110 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=110&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327264 8030052 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 91 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2ccccc2F)C(=O)N(CCCCCNC(=O)c2ccccc2F)[C@@H]1Cc1ccccc1 InChI=1S/C43H50F2N4O5/c44-35-23-11-9-21-33(35)41(52)46-25-13-3-15-27-48-37(29-31-17-5-1-6-18-31)39(50)40(51)38(30-32-19-7-2-8-20-32)49(43(48)54)28-16-4-14-26-47-42(53)34-22-10-12-24-36(34)45/h1-2,5-12,17-24,37-40,50-51H,3-4,13-16,25-30H2,(H,46,52)(H,47,53) ZZGWYXUTFLRGQD-UHFFFAOYSA-N 111 N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-3-{5-[(2-fluorophenyl)formamido]pentyl}-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]pentyl}-2-fluorobenzamide::DMPC Cyclic Urea 91 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 240 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=111 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=111&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327265 8030053 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 92 CCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCC)C1=O InChI=1S/C33H50N2O3/c1-3-5-7-9-17-23-34-29(25-27-19-13-11-14-20-27)31(36)32(37)30(26-28-21-15-12-16-22-28)35(33(34)38)24-18-10-8-6-4-2/h11-16,19-22,29-32,36-37H,3-10,17-18,23-26H2,1-2H3 FSHUUSFSAWCFAT-UHFFFAOYSA-N 112 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-diheptyl-5,6-dihydroxy-1,3-diazepan-2-one::CHEMBL432190::DMPC Cyclic Urea 92 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 260 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=112 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=112&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463326 8030046 CHEMBL432190 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 93 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=S)Nc2ccccc2)C(=O)N(CCCCCNC(=S)Nc2ccccc2)[C@@H]1Cc1ccccc1 InChI=1S/C43H54N6O3S2/c50-39-37(31-33-19-7-1-8-20-33)48(29-17-5-15-27-44-41(53)46-35-23-11-3-12-24-35)43(52)49(38(40(39)51)32-34-21-9-2-10-22-34)30-18-6-16-28-45-42(54)47-36-25-13-4-14-26-36/h1-4,7-14,19-26,37-40,50-51H,5-6,15-18,27-32H2,(H2,44,46,53)(H2,45,47,54) ATXKYIYRLJEGQW-UHFFFAOYSA-N 113 1-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-{5-[(phenylcarbamothioyl)amino]pentyl}-1,3-diazepan-1-yl]pentyl}-3-phenylthiourea::DMPC Cyclic Urea 93 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 260 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=113 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=113&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327251 8030035 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 94 CNC(=O)NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)NC)C1=O InChI=1S/C33H50N6O5/c1-34-31(42)36-19-11-5-13-21-38-27(23-25-15-7-3-8-16-25)29(40)30(41)28(24-26-17-9-4-10-18-26)39(33(38)44)22-14-6-12-20-37-32(43)35-2/h3-4,7-10,15-18,27-30,40-41H,5-6,11-14,19-24H2,1-2H3,(H2,34,36,42)(H2,35,37,43) OYNFRQIQIBKTHH-UHFFFAOYSA-N 114 1-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{5-[(methylcarbamoyl)amino]pentyl}-2-oxo-1,3-diazepan-1-yl]pentyl}-3-methylurea::DMPC Cyclic Urea 94 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 270 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=114 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=114&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009309 8030036 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 95 CSc1nnc(NCC=CCN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(CC=CCNc3nnc(SC)[nH]3)C2=O)[nH]1 |w:35.37,8.7| InChI=1S/C33H42N10O3S2/c1-47-31-36-29(38-40-31)34-17-9-11-19-42-25(21-23-13-5-3-6-14-23)27(44)28(45)26(22-24-15-7-4-8-16-24)43(33(42)46)20-12-10-18-35-30-37-32(48-2)41-39-30/h3-16,25-28,44-45H,17-22H2,1-2H3,(H2,34,36,38,40)(H2,35,37,39,41) MOIWHGXXTVBMPC-UHFFFAOYSA-N 115 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(2E)-4-{[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}but-2-en-1-yl]-1,3-diazepan-2-one::DMPC Cyclic Urea 95 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 280 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=115 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=115&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327252 8030037 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 96 COC(=O)NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)OC)C1=O InChI=1S/C33H48N4O7/c1-43-31(40)34-19-11-5-13-21-36-27(23-25-15-7-3-8-16-25)29(38)30(39)28(24-26-17-9-4-10-18-26)37(33(36)42)22-14-6-12-20-35-32(41)44-2/h3-4,7-10,15-18,27-30,38-39H,5-6,11-14,19-24H2,1-2H3,(H,34,40)(H,35,41) YGCQZFGUBAXOFA-UHFFFAOYSA-N 116 methyl N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{5-[(methoxycarbonyl)amino]pentyl}-2-oxo-1,3-diazepan-1-yl]pentyl}carbamate::DMPC Cyclic Urea 96 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 300 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=116 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=116&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327237 8030011 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 97 CC(=O)NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(C)=O)C1=O InChI=1S/C33H48N4O5/c1-25(38)34-19-11-5-13-21-36-29(23-27-15-7-3-8-16-27)31(40)32(41)30(24-28-17-9-4-10-18-28)37(33(36)42)22-14-6-12-20-35-26(2)39/h3-4,7-10,15-18,29-32,40-41H,5-6,11-14,19-24H2,1-2H3,(H,34,38)(H,35,39) CFFYNIWNUKREJO-UHFFFAOYSA-N 117 N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-acetamidopentyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]pentyl}acetamide::DMPC Cyclic Urea 97 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 350 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=117 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=117&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009307 8030009 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 98 [H][C@@]1(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(C[C@]3([H])CC3(c3ccccc3)c3ccccc3)C2=O)CC1(c1ccccc1)c1ccccc1 InChI=1S/C51H50N2O3/c54-47-45(31-37-19-7-1-8-20-37)52(35-43-33-50(43,39-23-11-3-12-24-39)40-25-13-4-14-26-40)49(56)53(46(48(47)55)32-38-21-9-2-10-22-38)36-44-34-51(44,41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-30,43-48,54-55H,31-36H2 FWJQTCWGFAHKFZ-UHFFFAOYSA-N 118 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis({[(1R)-2,2-diphenylcyclopropyl]methyl})-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 98 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 450 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=118 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=118&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327222 8029988 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 99 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C[C@@H]2C[C@H]2c2ccccc2)C(=O)N(C[C@H]2C[C@@H]2c2ccccc2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C39H42N2O3/c42-37-35(21-27-13-5-1-6-14-27)40(25-31-23-33(31)29-17-9-3-10-18-29)39(44)41(26-32-24-34(32)30-19-11-4-12-20-30)36(38(37)43)22-28-15-7-2-8-16-28/h1-20,31-38,42-43H,21-26H2 DXYJAAZPNMQYKU-UHFFFAOYSA-N 119 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{[(1R,2R)-2-phenylcyclopropyl]methyl}-1-{[(1S,2S)-2-phenylcyclopropyl]methyl}-1,3-diazepan-2-one::DMPC Cyclic Urea 99 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 490 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=119 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=119&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 6538717 8029989 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 100 OCCCCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCCCCO)C1=O InChI=1S/C35H54N2O5/c38-25-17-7-3-1-5-15-23-36-31(27-29-19-11-9-12-20-29)33(40)34(41)32(28-30-21-13-10-14-22-30)37(35(36)42)24-16-6-2-4-8-18-26-39/h9-14,19-22,31-34,38-41H,1-8,15-18,23-28H2 HSHYCDVIHVMARS-UHFFFAOYSA-N 120 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(8-hydroxyoctyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 100 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 500 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=120 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=120&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009301 8029985 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 101 COCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCOC)C1=O InChI=1S/C25H34N2O5/c1-31-15-13-26-21(17-19-9-5-3-6-10-19)23(28)24(29)22(18-20-11-7-4-8-12-20)27(25(26)30)14-16-32-2/h3-12,21-24,28-29H,13-18H2,1-2H3 MFPWTYXTECUSIK-UHFFFAOYSA-N 121 CHEMBL423500::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methoxyethyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 101 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 800 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=121 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=121&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463327 8029977 CHEMBL423500 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 102 CN(C)CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCN(C)C)C1=O InChI=1S/C31H48N4O3/c1-32(2)19-11-13-21-34-27(23-25-15-7-5-8-16-25)29(36)30(37)28(24-26-17-9-6-10-18-26)35(31(34)38)22-14-12-20-33(3)4/h5-10,15-18,27-30,36-37H,11-14,19-24H2,1-4H3 OJXDVNXJVASQNH-UHFFFAOYSA-N 122 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[4-(dimethylamino)butyl]-5,6-dihydroxy-1,3-diazepan-2-one dihydrochloride::DMPC Cyclic Urea 102 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 820 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=122 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=122&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327205 8029964 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 103 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCC23CC4CC(CC(C4)C2)C3)C(=O)N(CCC23CC4CC(CC(C4)C2)C3)[C@@H]1Cc1ccccc1 |TLB:22:17:24:21.23.20,22:21:24:17.16.18,33:34:38:32.31.37,THB:20:19:16:21.23.22,20:21:16:19.24.18,33:32:38:34.39.35,35:36:31:34.39.33,35:34:31:36.38.37| 123 (4R,5S,6S,7R)-1,3-bis[2-(adamantan-1-yl)ethyl]-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 103 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 903 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=123 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=123&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327195 8029953 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 104 [H][C@](O)(CCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCC[C@@]([H])(O)c2ccc(F)cc2)C1=O)c1ccc(F)cc1 InChI=1S/C39H44F2N2O5/c40-31-19-15-29(16-20-31)35(44)13-7-23-42-33(25-27-9-3-1-4-10-27)37(46)38(47)34(26-28-11-5-2-6-12-28)43(39(42)48)24-8-14-36(45)30-17-21-32(41)22-18-30/h1-6,9-12,15-22,33-38,44-47H,7-8,13-14,23-26H2 UHZHRHOHEJRMEP-UHFFFAOYSA-N 124 (4R,5S,6S,7R)-4,7-dibenzyl-1-[(4R)-4-(4-fluorophenyl)-4-hydroxybutyl]-3-[(4S)-4-(4-fluorophenyl)-4-hydroxybutyl]-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 104 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 930 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=124 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=124&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327196 8029954 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 105 CCOCCN1[C@@H](Cc2ccccc2)[C@@H](O)[C@H](O)[C@H](Cc2ccccc2)N(CCOCC)C1=O InChI=1S/C27H38N2O5/c1-3-33-17-15-28-23(19-21-11-7-5-8-12-21)25(30)26(31)24(20-22-13-9-6-10-14-22)29(27(28)32)16-18-34-4-2/h5-14,23-26,30-31H,3-4,15-20H2,1-2H3 MPOLZPRZMBTQLP-UHFFFAOYSA-N 125 (4S,5R,6R,7S)-4,7-dibenzyl-1,3-bis(2-ethoxyethyl)-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 105 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1100 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=125 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=125&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327267 8030055 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 106 OC(CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC(O)Cc2ccccc2)C1=O)Cc1ccccc1 InChI=1S/C37H42N2O5/c40-31(21-27-13-5-1-6-14-27)25-38-33(23-29-17-9-3-10-18-29)35(42)36(43)34(24-30-19-11-4-12-20-30)39(37(38)44)26-32(41)22-28-15-7-2-8-16-28/h1-20,31-36,40-43H,21-26H2 BJYHOXNNFLNKLG-UHFFFAOYSA-N 126 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-hydroxy-3-phenylpropyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 106 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1250 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=126 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=126&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327266 8030054 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 107 NCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCN)C1=O InChI=1S/C29H44N4O3/c30-17-9-3-11-19-32-25(21-23-13-5-1-6-14-23)27(34)28(35)26(22-24-15-7-2-8-16-24)33(29(32)36)20-12-4-10-18-31/h1-2,5-8,13-16,25-28,34-35H,3-4,9-12,17-22,30-31H2 BIEJTDFFXMXWIH-UHFFFAOYSA-N 127 (4R,5S,6S,7R)-1,3-bis(5-aminopentyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 107 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1250 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=127 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=127&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009303 8029952 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 108 NCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCN)C1=O InChI=1S/C27H40N4O3/c28-15-7-9-17-30-23(19-21-11-3-1-4-12-21)25(32)26(33)24(20-22-13-5-2-6-14-22)31(27(30)34)18-10-8-16-29/h1-6,11-14,23-26,32-33H,7-10,15-20,28-29H2 TXGJUFAVGDYSPH-UHFFFAOYSA-N 128 CHEMBL28470::(4R,5S,6S,7R)-1,3-bis(4-aminobutyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one dihydrate dihydrochloride::DMPC Cyclic Urea 108 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1250 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=128 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=128&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 3009302 8030056 CHEMBL28470 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 109 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCNC(=O)c2cnccn2)C(=O)N(CCCCCNC(=O)c2cnccn2)[C@@H]1Cc1ccccc1 InChI=1S/C39H48N8O5/c48-35-33(25-29-13-5-1-6-14-29)46(23-11-3-9-17-44-37(50)31-27-40-19-21-42-31)39(52)47(34(36(35)49)26-30-15-7-2-8-16-30)24-12-4-10-18-45-38(51)32-28-41-20-22-43-32/h1-2,5-8,13-16,19-22,27-28,33-36,48-49H,3-4,9-12,17-18,23-26H2,(H,44,50)(H,45,51) KVUSMJLYIOAOHQ-UHFFFAOYSA-N 129 N-{5-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[5-(pyrazin-2-ylformamido)pentyl]-1,3-diazepan-1-yl]pentyl}pyrazine-2-carboxamide::DMPC Cyclic Urea 109 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1300 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=129 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=129&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327269 8030057 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 110 [H]C(N)(CCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCC([H])(N)c2ccc(F)cc2)C1=O)c1ccc(F)cc1 |w:1.0,31.33| InChI=1S/C39H46F2N4O3/c40-31-19-15-29(16-20-31)33(42)13-7-23-44-35(25-27-9-3-1-4-10-27)37(46)38(47)36(26-28-11-5-2-6-12-28)45(39(44)48)24-8-14-34(43)30-17-21-32(41)22-18-30/h1-6,9-12,15-22,33-38,46-47H,7-8,13-14,23-26,42-43H2 CWRJATMIQRJWLU-UHFFFAOYSA-N 130 (4R,5S,6S,7R)-1,3-bis[4-amino-4-(4-fluorophenyl)butyl]-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 110 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1700 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=130 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=130&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327270 8030058 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 111 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCn2cccn2)C(=O)N(CCCCCn2cccn2)[C@@H]1Cc1ccccc1 InChI=1S/C35H46N6O3/c42-33-31(27-29-15-5-1-6-16-29)40(25-11-3-9-21-38-23-13-19-36-38)35(44)41(26-12-4-10-22-39-24-14-20-37-39)32(34(33)43)28-30-17-7-2-8-18-30/h1-2,5-8,13-20,23-24,31-34,42-43H,3-4,9-12,21-22,25-28H2 MHAOCEHEZYLDEO-UHFFFAOYSA-N 131 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[5-(1H-pyrazol-1-yl)pentyl]-1,3-diazepan-2-one::DMPC Cyclic Urea 111 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1700 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=131 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=131&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327271 8030059 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 112 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC#Cc2ccccc2)C(=O)N(CC#Cc2ccccc2)[C@@H]1Cc1ccccc1 InChI=1S/C37H34N2O3/c40-35-33(27-31-19-9-3-10-20-31)38(25-13-23-29-15-5-1-6-16-29)37(42)39(26-14-24-30-17-7-2-8-18-30)34(36(35)41)28-32-21-11-4-12-22-32/h1-12,15-22,33-36,40-41H,25-28H2 HGZAFFDUYZNFNL-UHFFFAOYSA-N 132 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(3-phenylprop-2-yn-1-yl)-1,3-diazepan-2-one::DMPC Cyclic Urea 112 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1900 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=132 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=132&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327272 8030060 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 113 [NH3+]CCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCC[NH3+])C1=O InChI=1S/C31H48N4O3/c32-19-11-1-3-13-21-34-27(23-25-15-7-5-8-16-25)29(36)30(37)28(24-26-17-9-6-10-18-26)35(31(34)38)22-14-4-2-12-20-33/h5-10,15-18,27-30,36-37H,1-4,11-14,19-24,32-33H2/p+2 VZUHWGBQQIOAGX-UHFFFAOYSA-P 133 6-[(4R,5S,6S,7R)-3-(6-aminiumylhexyl)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]hexan-1-aminium dichloride::DMPC Cyclic Urea 113 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 2200 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=133 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=133&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 91895534 8030061 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 114 Cc1cc(C)cc(NC\C=C\CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(C\C=C\CNc3cc(C)cc(C)c3)C2=O)c1 InChI=1S/C43H52N4O3/c1-31-23-32(2)26-37(25-31)44-19-11-13-21-46-39(29-35-15-7-5-8-16-35)41(48)42(49)40(30-36-17-9-6-10-18-36)47(43(46)50)22-14-12-20-45-38-27-33(3)24-34(4)28-38/h5-18,23-28,39-42,44-45,48-49H,19-22,29-30H2,1-4H3 FSMRXXHDZHZEOZ-UHFFFAOYSA-N 134 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(2E)-4-[(3,5-dimethylphenyl)amino]but-2-en-1-yl]-5,6-dihydroxy-1,3-diazepan-2-one dihydrochloride::DMPC Cyclic Urea 114 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 2300 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=134 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=134&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327276 8030062 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 115 OCCOCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCOCCO)C1=O InChI=1S/C27H38N2O7/c30-13-17-35-15-11-28-23(19-21-7-3-1-4-8-21)25(32)26(33)24(20-22-9-5-2-6-10-22)29(27(28)34)12-16-36-18-14-31/h1-10,23-26,30-33H,11-20H2 KDNCODBZLKVUEM-UHFFFAOYSA-N 135 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(2-hydroxyethoxy)ethyl]-1,3-diazepan-2-one::DMPC Cyclic Urea 115 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 2400 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=135 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=135&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327277 8030063 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 116 CN(C)CCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCN(C)C)C1=O InChI=1S/C27H40N4O3/c1-28(2)15-17-30-23(19-21-11-7-5-8-12-21)25(32)26(33)24(20-22-13-9-6-10-14-22)31(27(30)34)18-16-29(3)4/h5-14,23-26,32-33H,15-20H2,1-4H3 YHIYCMLSRJCVBV-UHFFFAOYSA-N 136 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[2-(dimethylamino)ethyl]-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 116 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 2660 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=136 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=136&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327278 8030064 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 117 CC(O)CC1C(CCN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(CCC3C(CC(C)O)C3(C)C)C2=O)C1(C)C InChI=1S/C39H58N2O5/c1-25(42)21-31-29(38(31,3)4)17-19-40-33(23-27-13-9-7-10-14-27)35(44)36(45)34(24-28-15-11-8-12-16-28)41(37(40)46)20-18-30-32(22-26(2)43)39(30,5)6/h7-16,25-26,29-36,42-45H,17-24H2,1-6H3 JNHYHLHMBTYIMN-UHFFFAOYSA-N 137 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({2-[3-(2-hydroxypropyl)-2,2-dimethylcyclopropyl]ethyl})-1,3-diazepan-2-one::DMPC Cyclic Urea 117 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 3100 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=137 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=137&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327279 8030065 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 118 C[NH+](C)CCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC[NH+](C)C)C1=O InChI=1S/C27H40N4O3/c1-28(2)15-17-30-23(19-21-11-7-5-8-12-21)25(32)26(33)24(20-22-13-9-6-10-14-22)31(27(30)34)18-16-29(3)4/h5-14,23-26,32-33H,15-20H2,1-4H3/p+2 YHIYCMLSRJCVBV-UHFFFAOYSA-P 138 {2-[(4R,5S,6S,7R)-4,7-dibenzyl-3-[2-(dimethylaminiumyl)ethyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]ethyl}dimethylazanium diiodide::DMPC Cyclic Urea 118 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 3150 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=138 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=138&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 91895535 8030066 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 119 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCC(=O)c2ccc(F)cc2)C(=O)N(CCCC(=O)c2ccc(F)cc2)[C@@H]1Cc1ccccc1 InChI=1S/C39H40F2N2O5/c40-31-19-15-29(16-20-31)35(44)13-7-23-42-33(25-27-9-3-1-4-10-27)37(46)38(47)34(26-28-11-5-2-6-12-28)43(39(42)48)24-8-14-36(45)30-17-21-32(41)22-18-30/h1-6,9-12,15-22,33-34,37-38,46-47H,7-8,13-14,23-26H2 DDJAJENDNFYDNC-UHFFFAOYSA-N 139 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[4-(4-fluorophenyl)-4-oxobutyl]-5,6-dihydroxy-1,3-diazepan-2-one::DMPC Cyclic Urea 119 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 3700 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=139 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=139&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327281 8030067 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 120 CC1=NOC(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(CC3CC(C)=NO3)C2=O)C1 |c:34,t:1| InChI=1S/C29H36N4O5/c1-19-13-23(37-30-19)17-32-25(15-21-9-5-3-6-10-21)27(34)28(35)26(16-22-11-7-4-8-12-22)33(29(32)36)18-24-14-20(2)31-38-24/h3-12,23-28,34-35H,13-18H2,1-2H3 VFROLCJFXPJAHV-UHFFFAOYSA-N 140 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-1,3-diazepan-2-one::DMPC Cyclic Urea 120 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 3800 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=140 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=140&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327282 8030068 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 121 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCN2CCOCC2)C(=O)N(CCN2CCOCC2)[C@@H]1Cc1ccccc1 InChI=1S/C31H44N4O5/c36-29-27(23-25-7-3-1-4-8-25)34(13-11-32-15-19-39-20-16-32)31(38)35(14-12-33-17-21-40-22-18-33)28(30(29)37)24-26-9-5-2-6-10-26/h1-10,27-30,36-37H,11-24H2 XFJDWPUDCKDRDP-UHFFFAOYSA-N 141 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(morpholin-4-yl)ethyl]-1,3-diazepan-2-one::DMPC Cyclic Urea 121 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 4000 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=141 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=141&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463357 8030069 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 122 CCC(O)CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC(O)CC)C1=O InChI=1S/C27H38N2O5/c1-3-21(30)17-28-23(15-19-11-7-5-8-12-19)25(32)26(33)24(16-20-13-9-6-10-14-20)29(27(28)34)18-22(31)4-2/h5-14,21-26,30-33H,3-4,15-18H2,1-2H3 BUZLNNRMOXQFFF-UHFFFAOYSA-N 142 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-hydroxybutyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 122 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 8700 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=142 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=142&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327283 8030070 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 123 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCC2CCNCC2)C(=O)N(CCC2CCNCC2)[C@@H]1Cc1ccccc1 InChI=1S/C33H48N4O3/c38-31-29(23-27-7-3-1-4-8-27)36(21-15-25-11-17-34-18-12-25)33(40)37(22-16-26-13-19-35-20-14-26)30(32(31)39)24-28-9-5-2-6-10-28/h1-10,25-26,29-32,34-35,38-39H,11-24H2 QCFLNAJMYWWHRE-UHFFFAOYSA-N 143 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(piperidin-4-yl)ethyl]-1,3-diazepan-2-one::DMPC Cyclic Urea 123 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 10000 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=143 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=143&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327284 8030071 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 124 CC(=O)NCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCNC(C)=O)C1=O InChI=1S/C27H36N4O5/c1-19(32)28-13-15-30-23(17-21-9-5-3-6-10-21)25(34)26(35)24(18-22-11-7-4-8-12-22)31(27(30)36)16-14-29-20(2)33/h3-12,23-26,34-35H,13-18H2,1-2H3,(H,28,32)(H,29,33) WQKFMDZPKVSKRJ-UHFFFAOYSA-N 144 N-{2-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(2-acetamidoethyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]ethyl}acetamide::DMPC Cyclic Urea 124 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 12500 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=144 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=144&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327285 8030072 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 125 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCNC(=O)Cc2ccccn2)C(=O)N(CCNC(=O)Cc2ccccn2)[C@@H]1Cc1ccccc1 InChI=1S/C37H42N6O5/c44-33(25-29-15-7-9-17-38-29)40-19-21-42-31(23-27-11-3-1-4-12-27)35(46)36(47)32(24-28-13-5-2-6-14-28)43(37(42)48)22-20-41-34(45)26-30-16-8-10-18-39-30/h1-18,31-32,35-36,46-47H,19-26H2,(H,40,44)(H,41,45) HYSMBISRTLFRJM-UHFFFAOYSA-N 145 N-{2-[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-{2-[1-(pyridin-2-yl)acetamido]ethyl}-1,3-diazepan-1-yl]ethyl}-2-(pyridin-2-yl)acetamide::DMPC Cyclic Urea 125 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 12500 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=145 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=145&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327286 8030073 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 126 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCn2ccnc2)C(=O)N(CCCCCn2ccnc2)[C@@H]1Cc1ccccc1 InChI=1S/C35H46N6O3/c42-33-31(25-29-13-5-1-6-14-29)40(21-11-3-9-19-38-23-17-36-27-38)35(44)41(22-12-4-10-20-39-24-18-37-28-39)32(34(33)43)26-30-15-7-2-8-16-30/h1-2,5-8,13-18,23-24,27-28,31-34,42-43H,3-4,9-12,19-22,25-26H2 FDSAKCUNWBEMES-UHFFFAOYSA-N 146 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[5-(1H-imidazol-1-yl)pentyl]-1,3-diazepan-2-one dihydrochloride::DMPC Cyclic Urea 126 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 12500 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=146 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=146&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327288 8030074 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 127 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CCCCCN2CCOCC2)C(=O)N(CCCCCN2CCOCC2)[C@@H]1Cc1ccccc1 InChI=1S/C37H56N4O5/c42-35-33(29-31-13-5-1-6-14-31)40(19-11-3-9-17-38-21-25-45-26-22-38)37(44)41(20-12-4-10-18-39-23-27-46-28-24-39)34(36(35)43)30-32-15-7-2-8-16-32/h1-2,5-8,13-16,33-36,42-43H,3-4,9-12,17-30H2 PBVNYQZSCJHDJA-UHFFFAOYSA-N 147 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[5-(morpholin-4-yl)pentyl]-1,3-diazepan-2-one dihydrochloride::DMPC Cyclic Urea 127 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 12500 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=147 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=147&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327290 8030075 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 128 CC(C)(C)C(O)CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC(O)C(C)(C)C)C1=O InChI=1S/C31H46N2O5/c1-30(2,3)25(34)19-32-23(17-21-13-9-7-10-14-21)27(36)28(37)24(18-22-15-11-8-12-16-22)33(29(32)38)20-26(35)31(4,5)6/h7-16,23-28,34-37H,17-20H2,1-6H3 HKNHBWLAUQVXRL-UHFFFAOYSA-N 148 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-hydroxy-3,3-dimethylbutyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 128 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 21000 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=148 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=148&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327291 8030076 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 129 OCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCO)C1=O InChI=1S/C23H30N2O5/c26-13-11-24-19(15-17-7-3-1-4-8-17)21(28)22(29)20(25(12-14-27)23(24)30)16-18-9-5-2-6-10-18/h1-10,19-22,26-29H,11-16H2 QIJKJRUCFPJJJX-UHFFFAOYSA-N 149 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-hydroxyethyl)-1,3-diazepan-2-one::DMPC Cyclic Urea 129 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 25000 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=149 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=149&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 5327292 8030077 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 130 OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1 InChI=1S/C35H38N2O5/c38-23-29-15-11-27(12-16-29)21-36-31(19-25-7-3-1-4-8-25)33(40)34(41)32(20-26-9-5-2-6-10-26)37(35(36)42)22-28-13-17-30(24-39)18-14-28/h1-18,31-34,38-41H,19-24H2 XCVGQMUMMDXKCY-UHFFFAOYSA-N 150 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[4-(hydroxymethyl)phenyl]methyl})-1,3-diazepan-2-one::DMP323 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.27 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=150 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=150&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 72404 8030078 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 131 Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(N)c3)C2=O)c1 InChI=1S/C33H36N4O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-32,38-39H,19-22,34-35H2 KYRSNWPSSXSNEP-UHFFFAOYSA-N 151 CHEMBL223824::(4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one::DMP450 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.34 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=151 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=151&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 154044 8030079 CHEMBL223824 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 132 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC=C)C(=O)N(CC=C)[C@@H]1Cc1ccccc1 InChI=1S/C25H30N2O3/c1-3-15-26-21(17-19-11-7-5-8-12-19)23(28)24(29)22(27(16-4-2)25(26)30)18-20-13-9-6-10-14-20/h3-14,21-24,28-29H,1-2,15-18H2 IWJSQELMWLOYSO-UHFFFAOYSA-N 152 CHEMBL284314::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(prop-2-en-1-yl)-1,3-diazepan-2-one::XK216 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 4.7 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=152 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=152&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 446158 8030080 CHEMBL284314 DB06910 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 133 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccc3ccccc3c2)[C@@H]1Cc1ccccc1 InChI=1S/C41H38N2O3/c44-39-37(25-29-11-3-1-4-12-29)42(27-31-19-21-33-15-7-9-17-35(33)23-31)41(46)43(38(40(39)45)26-30-13-5-2-6-14-30)28-32-20-22-34-16-8-10-18-36(34)24-32/h1-24,37-40,44-45H,25-28H2 VUYPJDFAKYXJEV-UHFFFAOYSA-N 153 CHEMBL33647::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-2-ylmethyl)-1,3-diazepan-2-one::XK263 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.31 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=153 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=153&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 446153 8030081 CHEMBL33647 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 134 c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O InChI=1S/C41H38N6O5S2/c48-35-33(23-27-9-3-1-4-10-27)46(25-29-13-7-15-31(21-29)37(50)44-39-42-17-19-53-39)41(52)47(34(36(35)49)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(51)45-40-43-18-20-54-40/h1-22,33-36,48-49H,23-26H2,(H,42,44,50)(H,43,45,51) JDALSSGOBMTZEP-UHFFFAOYSA-N 154 3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-{[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]methyl}-1,3-diazepan-1-yl]methyl}-N-(1,3-thiazol-2-yl)benzamide::CHEMBL57375::XV638 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.03 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=154 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=154&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 638 441046 8030082 CHEMBL57375 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 135 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)[C@@H]1Cc1ccccc1 InChI=1S/C49H44N8O5/c58-43-41(27-31-13-3-1-4-14-31)56(29-33-17-11-19-35(25-33)45(60)54-47-50-37-21-7-8-22-38(37)51-47)49(62)57(42(44(43)59)28-32-15-5-2-6-16-32)30-34-18-12-20-36(26-34)46(61)55-48-52-39-23-9-10-24-40(39)53-48/h1-26,41-44,58-59H,27-30H2,(H2,50,51,54,60)(H2,52,53,55,61) UWSVAGUSMAEUKO-UHFFFAOYSA-N 155 N-(1H-1,3-benzodiazol-2-yl)-3-{[(4R,5S,6S,7R)-3-{[3-(1H-1,3-benzodiazol-2-ylcarbamoyl)phenyl]methyl}-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl}benzamide::CHEMBL11266::SD146 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.02 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=155 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=155&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 444672 8030083 CHEMBL11266 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 136 NC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(N)=O)C2=O)c1 InChI=1S/C35H36N4O5/c36-33(42)27-15-7-13-25(17-27)21-38-29(19-23-9-3-1-4-10-23)31(40)32(41)30(20-24-11-5-2-6-12-24)39(35(38)44)22-26-14-8-16-28(18-26)34(37)43/h1-18,29-32,40-41H,19-22H2,(H2,36,42)(H2,37,43) XVBGKELHGBXFDC-UHFFFAOYSA-N 156 CHEMBL311499::3-{[(4R,5S,6S,7R)-4,7-dibenzyl-3-[(3-carbamoylphenyl)methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl}benzamide::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.039 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=156 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=156&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 464315 8030084 CHEMBL311499 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 137 CNC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)NC)C2=O)c1 InChI=1S/C37H40N4O5/c1-38-35(44)29-17-9-15-27(19-29)23-40-31(21-25-11-5-3-6-12-25)33(42)34(43)32(22-26-13-7-4-8-14-26)41(37(40)46)24-28-16-10-18-30(20-28)36(45)39-2/h3-20,31-34,42-43H,21-24H2,1-2H3,(H,38,44)(H,39,45) LTVYROXJAPCACF-UHFFFAOYSA-N 157 CHEMBL82606::3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{[3-(methylcarbamoyl)phenyl]methyl}-2-oxo-1,3-diazepan-1-yl]methyl}-N-methylbenzamide::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.066 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=157 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=157&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 464289 8030085 CHEMBL82606 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 138 CCNC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)NCC)C2=O)c1 InChI=1S/C39H44N4O5/c1-3-40-37(46)31-19-11-17-29(21-31)25-42-33(23-27-13-7-5-8-14-27)35(44)36(45)34(24-28-15-9-6-10-16-28)43(39(42)48)26-30-18-12-20-32(22-30)38(47)41-4-2/h5-22,33-36,44-45H,3-4,23-26H2,1-2H3,(H,40,46)(H,41,47) NHEIBOKBLUFHEF-UHFFFAOYSA-N 158 3-{[(4R,5S,6S,7R)-4,7-dibenzyl-3-{[3-(ethylcarbamoyl)phenyl]methyl}-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl}-N-ethylbenzamide::CHEMBL81396::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.21 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=158 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=158&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 464290 8030086 CHEMBL81396 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 139 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2ccccn2)C(=O)N(Cc2cccc(c2)C(=O)Nc2ccccn2)[C@@H]1Cc1ccccc1 InChI=1S/C45H42N6O5/c52-41-37(27-31-13-3-1-4-14-31)50(29-33-17-11-19-35(25-33)43(54)48-39-21-7-9-23-46-39)45(56)51(38(42(41)53)28-32-15-5-2-6-16-32)30-34-18-12-20-36(26-34)44(55)49-40-22-8-10-24-47-40/h1-26,37-38,41-42,52-53H,27-30H2,(H,46,48,54)(H,47,49,55) CTTYWAAVPCSYCV-UHFFFAOYSA-N 159 3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-{[3-(pyridin-2-ylcarbamoyl)phenyl]methyl}-1,3-diazepan-1-yl]methyl}-N-(pyridin-2-yl)benzamide::CHEMBL81383::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.043 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=159 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=159&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 467724 8030087 CHEMBL81383 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 140 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)Nc2ncc[nH]2)C(=O)N(Cc2cccc(c2)C(=O)Nc2ncc[nH]2)[C@@H]1Cc1ccccc1 InChI=1S/C41H40N8O5/c50-35-33(23-27-9-3-1-4-10-27)48(25-29-13-7-15-31(21-29)37(52)46-39-42-17-18-43-39)41(54)49(34(36(35)51)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(53)47-40-44-19-20-45-40/h1-22,33-36,50-51H,23-26H2,(H2,42,43,46,52)(H2,44,45,47,53) XFNBBSJRWLSLFP-UHFFFAOYSA-N 160 CHEMBL291677::3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{[3-(1H-imidazol-2-ylcarbamoyl)phenyl]methyl}-2-oxo-1,3-diazepan-1-yl]methyl}-N-(1H-imidazol-2-yl)benzamide::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.014 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=160 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=160&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 464704 8030088 CHEMBL291677 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 141 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2ccc3[nH]ncc3c2)[C@@H]1Cc1ccccc1 InChI=1S/C35H34N6O3/c42-33-31(17-23-7-3-1-4-8-23)40(21-25-11-13-29-27(15-25)19-36-38-29)35(44)41(22-26-12-14-30-28(16-26)20-37-39-30)32(34(33)43)18-24-9-5-2-6-10-24/h1-16,19-20,31-34,42-43H,17-18,21-22H2,(H,36,38)(H,37,39) QMCVFDPMIZPVDS-UHFFFAOYSA-N 161 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one::CHEMBL78671::Indazole, 1::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.018 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=161 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=161&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 465481 8030089 CHEMBL78671 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 142 ONC(=N)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=N)NO)C2=O)c1 InChI=1S/C35H38N6O5/c36-33(38-45)27-15-7-13-25(17-27)21-40-29(19-23-9-3-1-4-10-23)31(42)32(43)30(20-24-11-5-2-6-12-24)41(35(40)44)22-26-14-8-16-28(18-26)34(37)39-46/h1-18,29-32,42-43,45-46H,19-22H2,(H2,36,38)(H2,37,39) CVCBZRCJISTSIN-UHFFFAOYSA-N 162 3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{[3-(N'-hydroxycarbamimidoyl)phenyl]methyl}-2-oxo-1,3-diazepan-1-yl]methyl}-N'-hydroxybenzene-1-carboximidamide::[4R-(4,5,6,7)]-3,3-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-hydroxybenzenecarboximidamide]::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.01 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=162 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=162&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 515849 8030090 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 144 O[C@@H]1[C@@H](CCc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2ccc3[nH]ncc3c2)[C@@H]1Cc1ccccc1 InChI=1S/C35H34N6O2/c42-34-32(16-13-24-7-3-1-4-8-24)40(22-26-11-14-30-28(17-26)20-36-38-30)35(43)41(33(34)19-25-9-5-2-6-10-25)23-27-12-15-31-29(18-27)21-37-39-31/h1-12,14-15,17-18,20-21,32-34,42H,13,16,19,22-23H2,(H,36,38)(H,37,39) XYUHJAIPECDEBR-UHFFFAOYSA-N 164 (4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis(1H-indazol-5-ylmethyl)-6-(2-phenylethyl)-1,3-diazinan-2-one::CHEMBL288254::[4R-(4,5,6)]-Tetrahydro-5-hydroxy-1,3-bis(1H-indazol-5-ylmethyl)-4-(2-phenylethyl)-6-(phenylmethyl)-2(1H)-pyrimidinone::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.023 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=164 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=164&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 515850 8030091 CHEMBL288254 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 146 O[C@H]1[C@@H](Cc2ccccc2)NC(=O)N(Cc2ccc3[nH]ncc3c2)[C@H](Cc2ccccc2)[C@@H]1O InChI=1S/C27H28N4O3/c32-25-23(14-18-7-3-1-4-8-18)29-27(34)31(17-20-11-12-22-21(13-20)16-28-30-22)24(26(25)33)15-19-9-5-2-6-10-19/h1-13,16,23-26,32-33H,14-15,17H2,(H,28,30)(H,29,34) RHDRKQCNNGBNHC-UHFFFAOYSA-N 166 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one::[4R-(4,5,6,7)]-Hexahydro-5,6-dihydroxy-1-(1H-indazol-5-ylmethyl)-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one::CHEMBL311496::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.32 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=166 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=166&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 515851 8030092 CHEMBL311496 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 147 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2cccc(c2)C(O)=O)[C@@H]1Cc1ccccc1 InChI=1S/C35H34N4O5/c40-32-30(18-23-8-3-1-4-9-23)38(21-25-12-7-13-27(16-25)34(42)43)35(44)39(22-26-14-15-29-28(17-26)20-36-37-29)31(33(32)41)19-24-10-5-2-6-11-24/h1-17,20,30-33,40-41H,18-19,21-22H2,(H,36,37)(H,42,43) IPSNCGJWCSQSPB-UHFFFAOYSA-N 167 3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-(1H-indazol-5-ylmethyl)-2-oxo-1,3-diazepan-1-yl]methyl}benzoic acid::CHEMBL310124::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.049 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=167 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=167&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 515852 8030104 CHEMBL310124 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 148 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]ncc3c2)C(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 InChI=1S/C34H34N4O4/c39-28-13-7-12-25(17-28)21-37-30(18-23-8-3-1-4-9-23)32(40)33(41)31(19-24-10-5-2-6-11-24)38(34(37)42)22-26-14-15-29-27(16-26)20-35-36-29/h1-17,20,30-33,39-41H,18-19,21-22H2,(H,35,36) HMBROJULWCDLQT-UHFFFAOYSA-N 168 [4R-(4,5,6,7)]-Hexahydro-5,6-dihydroxy-1-[(3-hydroxyphenyl)methyl]-3-(1H-indazol-5-ylmethyl)-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one::CHEMBL433136::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[(3-hydroxyphenyl)methyl]-1-(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.045 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=168 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=168&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 515853 8030093 CHEMBL433136 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 149 OCCc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1 InChI=1S/C36H38N4O4/c41-17-16-27-12-7-13-28(18-27)23-39-32(20-25-8-3-1-4-9-25)34(42)35(43)33(21-26-10-5-2-6-11-26)40(36(39)44)24-29-14-15-31-30(19-29)22-37-38-31/h1-15,18-19,22,32-35,41-43H,16-17,20-21,23-24H2,(H,37,38) PHJUBIAVEOBIMZ-UHFFFAOYSA-N 169 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{[3-(2-hydroxyethyl)phenyl]methyl}-1-(1H-indazol-5-ylmethyl)-1,3-diazepan-2-one::CHEMBL312358::[4R-(4,5,6,7)]-Hexahydro-5,6-dihydroxy-1-[[3-(2-hydroxyethyl)phenyl]methyl]-3-(1H-indazol-5-ylmethyl)-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.05 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=169 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=169&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 515854 8030094 CHEMBL312358 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 150 COC(=O)Cc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1 InChI=1S/C37H38N4O5/c1-46-34(42)21-27-13-8-14-28(17-27)23-40-32(19-25-9-4-2-5-10-25)35(43)36(44)33(20-26-11-6-3-7-12-26)41(37(40)45)24-29-15-16-31-30(18-29)22-38-39-31/h2-18,22,32-33,35-36,43-44H,19-21,23-24H2,1H3,(H,38,39) NFLSBSNFRZFUJE-UHFFFAOYSA-N 170 methyl 2-(3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-(1H-indazol-5-ylmethyl)-2-oxo-1,3-diazepan-1-yl]methyl}phenyl)acetate::[4R-(4,5,6,7)]-Methyl 3-[[Hexahydro-5,6-dihyroxy-3-(1H-indazol-5-ylmethyl)-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepin-1-yl]methyl]benzeneacetate::CHEMBL309557::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.11 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=170 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=170&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 515855 8030095 CHEMBL309557 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 151 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(C=O)c2)C(=O)N(Cc2cccc(C=O)c2)[C@@H]1Cc1ccccc1 InChI=1S/C35H34N2O5/c38-23-29-15-7-13-27(17-29)21-36-31(19-25-9-3-1-4-10-25)33(40)34(41)32(20-26-11-5-2-6-12-26)37(35(36)42)22-28-14-8-16-30(18-28)24-39/h1-18,23-24,31-34,40-41H,19-22H2 SCAKARIEFOIUDT-UHFFFAOYSA-N 171 3-{[(4R,5S,6S,7R)-4,7-dibenzyl-3-[(3-formylphenyl)methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl}benzaldehyde::CHEMBL294331::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.44 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=171 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=171&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 469232 8030096 CHEMBL294331 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 152 CC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(C)=O)C2=O)c1 InChI=1S/C37H38N2O5/c1-25(40)31-17-9-15-29(19-31)23-38-33(21-27-11-5-3-6-12-27)35(42)36(43)34(22-28-13-7-4-8-14-28)39(37(38)44)24-30-16-10-18-32(20-30)26(2)41/h3-20,33-36,42-43H,21-24H2,1-2H3 GNWGNQFZTKCMNP-UHFFFAOYSA-N 172 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(3-acetylphenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis[(3-acetylphenyl)methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one::CHEMBL289473::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.06 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=172 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=172&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 469233 8030097 CHEMBL289473 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 153 CCC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)CC)C2=O)c1 InChI=1S/C39H42N2O5/c1-3-35(42)31-19-11-17-29(21-31)25-40-33(23-27-13-7-5-8-14-27)37(44)38(45)34(24-28-15-9-6-10-16-28)41(39(40)46)26-30-18-12-20-32(22-30)36(43)4-2/h5-22,33-34,37-38,44-45H,3-4,23-26H2,1-2H3 QHMOOLGACYFYIQ-UHFFFAOYSA-N 173 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(3-propanoylphenyl)methyl]-1,3-diazepan-2-one::CHEMBL291814::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.21 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=173 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=173&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 469234 8030098 CHEMBL291814 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 154 CCCC(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)CCC)C2=O)c1 InChI=1S/C41H46N2O5/c1-3-13-37(44)33-21-11-19-31(23-33)27-42-35(25-29-15-7-5-8-16-29)39(46)40(47)36(26-30-17-9-6-10-18-30)43(41(42)48)28-32-20-12-22-34(24-32)38(45)14-4-2/h5-12,15-24,35-36,39-40,46-47H,3-4,13-14,25-28H2,1-2H3 CUSSQSVURRNYDL-UHFFFAOYSA-N 174 CHEMBL304411::(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(3-butanoylphenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1.4 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=174 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=174&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 469235 8030099 CHEMBL304411 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 155 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(=O)C(F)(F)F)C(=O)N(Cc2cccc(c2)C(=O)C(F)(F)F)[C@@H]1Cc1ccccc1 InChI=1S/C37H32F6N2O5/c38-36(39,40)33(48)27-15-7-13-25(17-27)21-44-29(19-23-9-3-1-4-10-23)31(46)32(47)30(20-24-11-5-2-6-12-24)45(35(44)50)22-26-14-8-16-28(18-26)34(49)37(41,42)43/h1-18,29-32,46-47H,19-22H2 AMNCJZAOSZGEBS-UHFFFAOYSA-N 175 (4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis[[3-(trifluoroacetyl)phenyl]methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one::CHEMBL292631::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[3-(2,2,2-trifluoroacetyl)phenyl]methyl})-1,3-diazepan-2-one::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.037 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=175 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=175&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 469236 8030100 CHEMBL292631 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 156 CC(C)(C)C(=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(=O)C(C)(C)C)C2=O)c1 InChI=1S/C43H50N2O5/c1-42(2,3)39(48)33-21-13-19-31(23-33)27-44-35(25-29-15-9-7-10-16-29)37(46)38(47)36(26-30-17-11-8-12-18-30)45(41(44)50)28-32-20-14-22-34(24-32)40(49)43(4,5)6/h7-24,35-38,46-47H,25-28H2,1-6H3 IXHSGRWAMNNNRD-UHFFFAOYSA-N 176 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis({[3-(2,2-dimethylpropanoyl)phenyl]methyl})-5,6-dihydroxy-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis[(3-pivaloylphenyl)methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one::CHEMBL304410::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 3.6 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=176 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=176&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 469237 8030101 CHEMBL304410 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 157 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(CN=O)c2)C(=O)N(Cc2cccc(CN=O)c2)[C@@H]1Cc1ccccc1 InChI=1S/C35H36N4O5/c40-33-31(19-25-9-3-1-4-10-25)38(23-29-15-7-13-27(17-29)21-36-43)35(42)39(24-30-16-8-14-28(18-30)22-37-44)32(34(33)41)20-26-11-5-2-6-12-26/h1-18,31-34,40-41H,19-24H2 PMVSRYIVLLIFPU-UHFFFAOYSA-N 177 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({3-[(hydroxyimino)methyl]phenyl}methyl)-1,3-diazepan-2-one::CHEMBL305125::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.01 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=177 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=177&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 91895536 8030102 CHEMBL305125 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 158 CC(N=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(C)N=O)C2=O)c1 InChI=1S/C37H40N4O5/c1-25(38-45)31-17-9-15-29(19-31)23-40-33(21-27-11-5-3-6-12-27)35(42)36(43)34(22-28-13-7-4-8-14-28)41(37(40)44)24-30-16-10-18-32(20-30)26(2)39-46/h3-20,25-26,33-36,42-43H,21-24H2,1-2H3 FHCPILNSLQORSE-UHFFFAOYSA-N 178 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({3-[1-(hydroxyimino)ethyl]phenyl}methyl)-1,3-diazepan-2-one::4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis[[3-[1-(hydroxyimino)ethyl]phenyl]methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one::CHEMBL431174::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.018 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=178 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=178&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 91895537 8030103 CHEMBL431174 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 159 CCC(N=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(CC)N=O)C2=O)c1 InChI=1S/C39H44N4O5/c1-3-33(40-47)31-19-11-17-29(21-31)25-42-35(23-27-13-7-5-8-14-27)37(44)38(45)36(24-28-15-9-6-10-16-28)43(39(42)46)26-30-18-12-20-32(22-30)34(4-2)41-48/h5-22,33-38,44-45H,3-4,23-26H2,1-2H3 XZYUSIKLNDYKKU-UHFFFAOYSA-N 179 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({3-[1-(hydroxyimino)propyl]phenyl}methyl)-1,3-diazepan-2-one::CHEMBL303128::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.031 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=179 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=179&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 54497237 8030105 CHEMBL303128 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 160 CCCC(N=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(CCC)N=O)C2=O)c1 InChI=1S/C41H48N4O5/c1-3-13-35(42-49)33-21-11-19-31(23-33)27-44-37(25-29-15-7-5-8-16-29)39(46)40(47)38(26-30-17-9-6-10-18-30)45(41(44)48)28-32-20-12-22-34(24-32)36(43-50)14-4-2/h5-12,15-24,35-40,46-47H,3-4,13-14,25-28H2,1-2H3 QHWBHDVXWOSETP-UHFFFAOYSA-N 180 CHEMBL292858::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({3-[1-(hydroxyimino)butyl]phenyl}methyl)-1,3-diazepan-2-one::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.031 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=180 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=180&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 54228969 8030106 CHEMBL292858 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 161 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(N=O)C(F)(F)F)C(=O)N(Cc2cccc(c2)C(N=O)C(F)(F)F)[C@@H]1Cc1ccccc1 InChI=1S/C37H34F6N4O5/c38-36(39,40)33(44-51)27-15-7-13-25(17-27)21-46-29(19-23-9-3-1-4-10-23)31(48)32(49)30(20-24-11-5-2-6-12-24)47(35(46)50)22-26-14-8-16-28(18-26)34(45-52)37(41,42)43/h1-18,29-34,48-49H,19-22H2 WCAGFROALOKRDR-UHFFFAOYSA-N 181 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({3-[2,2,2-trifluoro-1-(hydroxyimino)ethyl]phenyl}methyl)-1,3-diazepan-2-one::CHEMBL294295::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 3.9 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=181 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=181&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 54422868 8030107 CHEMBL294295 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 162 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2cc[nH]n2)C(=O)N(Cc2cccc(c2)-c2cc[nH]n2)[C@@H]1Cc1ccccc1 InChI=1S/C39H38N6O3/c46-37-35(23-27-9-3-1-4-10-27)44(25-29-13-7-15-31(21-29)33-17-19-40-42-33)39(48)45(36(38(37)47)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)34-18-20-41-43-34/h1-22,35-38,46-47H,23-26H2,(H,40,42)(H,41,43) SREQXWNZQCXRIR-UHFFFAOYSA-N 182 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[3-(1H-pyrazol-3-yl)phenyl]methyl})-1,3-diazepan-2-one::CHEMBL38314::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis[[3-(1H-pyrazol-3-yl)phenyl]methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.027 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=182 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=182&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 469243 8030108 CHEMBL38314 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 163 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2cn[nH]c2)C(=O)N(Cc2cccc(c2)-c2cn[nH]c2)[C@@H]1Cc1ccccc1 InChI=1S/C39H38N6O3/c46-37-35(19-27-9-3-1-4-10-27)44(25-29-13-7-15-31(17-29)33-21-40-41-22-33)39(48)45(36(38(37)47)20-28-11-5-2-6-12-28)26-30-14-8-16-32(18-30)34-23-42-43-24-34/h1-18,21-24,35-38,46-47H,19-20,25-26H2,(H,40,41)(H,42,43) USPVZNGEOQQYLK-UHFFFAOYSA-N 183 CHEMBL304491::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis[[3-(1H-prazol-4-yl)phenyl]methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[3-(1H-pyrazol-4-yl)phenyl]methyl})-1,3-diazepan-2-one::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.62 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=183 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=183&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 469244 8030109 CHEMBL304491 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 164 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2ncc[nH]2)C(=O)N(Cc2cccc(c2)-c2ncc[nH]2)[C@@H]1Cc1ccccc1 InChI=1S/C39H38N6O3/c46-35-33(23-27-9-3-1-4-10-27)44(25-29-13-7-15-31(21-29)37-40-17-18-41-37)39(48)45(34(36(35)47)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38-42-19-20-43-38/h1-22,33-36,46-47H,23-26H2,(H,40,41)(H,42,43) LTSTXUQEHQNBBZ-UHFFFAOYSA-N 184 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[3-(1H-imidazol-2-yl)phenyl]methyl})-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis[[3-(1H-imidazol-2-yl)phenyl]methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one::CHEMBL434019::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.16 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=184 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=184&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 469245 8030110 CHEMBL434019 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 165 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2c[nH]cn2)C(=O)N(Cc2cccc(c2)-c2c[nH]cn2)[C@@H]1Cc1ccccc1 InChI=1S/C39H38N6O3/c46-37-35(19-27-9-3-1-4-10-27)44(23-29-13-7-15-31(17-29)33-21-40-25-42-33)39(48)45(36(38(37)47)20-28-11-5-2-6-12-28)24-30-14-8-16-32(18-30)34-22-41-26-43-34/h1-18,21-22,25-26,35-38,46-47H,19-20,23-24H2,(H,40,42)(H,41,43) LGCLJPYTRGJXHK-UHFFFAOYSA-N 185 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[3-(1H-imidazol-4-yl)phenyl]methyl})-1,3-diazepan-2-one::CHEMBL291621::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.19 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=185 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=185&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 469246 8030111 CHEMBL291621 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 166 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2c[nH]nn2)C(=O)N(Cc2cccc(c2)-c2c[nH]nn2)[C@@H]1Cc1ccccc1 InChI=1S/C37H36N8O3/c46-35-33(19-25-9-3-1-4-10-25)44(23-27-13-7-15-29(17-27)31-21-38-42-40-31)37(48)45(34(36(35)47)20-26-11-5-2-6-12-26)24-28-14-8-16-30(18-28)32-22-39-43-41-32/h1-18,21-22,33-36,46-47H,19-20,23-24H2,(H,38,40,42)(H,39,41,43) RDGHXKOZJGWPHA-UHFFFAOYSA-N 186 CHEMBL444038::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[3-(2H-1,2,3-triazol-4-yl)phenyl]methyl})-1,3-diazepan-2-one::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.17 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=186 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=186&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 469247 8030112 CHEMBL444038 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 167 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2nnc[nH]2)C(=O)N(Cc2cccc(c2)-c2nnc[nH]2)[C@@H]1Cc1ccccc1 InChI=1S/C37H36N8O3/c46-33-31(19-25-9-3-1-4-10-25)44(21-27-13-7-15-29(17-27)35-38-23-40-42-35)37(48)45(32(34(33)47)20-26-11-5-2-6-12-26)22-28-14-8-16-30(18-28)36-39-24-41-43-36/h1-18,23-24,31-34,46-47H,19-22H2,(H,38,40,42)(H,39,41,43) JJPAWNWDPWKLCQ-UHFFFAOYSA-N 187 CHEMBL293654::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[3-(1H-1,2,4-triazol-3-yl)phenyl]methyl})-1,3-diazepan-2-one::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.052 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=187 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=187&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 469248 8030113 CHEMBL293654 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 168 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2nnn[nH]2)C(=O)N(Cc2cccc(c2)-c2nnn[nH]2)[C@@H]1Cc1ccccc1 InChI=1S/C35H34N10O3/c46-31-29(19-23-9-3-1-4-10-23)44(21-25-13-7-15-27(17-25)33-36-40-41-37-33)35(48)45(30(32(31)47)20-24-11-5-2-6-12-24)22-26-14-8-16-28(18-26)34-38-42-43-39-34/h1-18,29-32,46-47H,19-22H2,(H,36,37,40,41)(H,38,39,42,43) VONDGXFKSSKVJE-UHFFFAOYSA-N 188 CHEMBL302864::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl})-1,3-diazepan-2-one::Cyclic Urea Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 6.6 5.5000 37.00 C Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=188 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=188&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 469249 8030114 CHEMBL302864 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15844 CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(C)C1=O |r| InChI=1S/C21H26N2O3/c1-22-17(13-15-9-5-3-6-10-15)19(24)20(25)18(23(2)21(22)26)14-16-11-7-4-8-12-16/h3-12,17-20,24-25H,13-14H2,1-2H3 AJVZFVAMCBQKPD-UHFFFAOYSA-N 9309 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-dimethyl-1,3-diazepan-2-one::CHEMBL328959::Cyclic Urea 3 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 5700 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9309 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9309&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463320 46510028 CHEMBL328959 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15845 CCOCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCOCC)C1=O |r| InChI=1S/C27H38N2O5/c1-3-33-17-15-28-23(19-21-11-7-5-8-12-21)25(30)26(31)24(20-22-13-9-6-10-14-22)29(27(28)32)16-18-34-4-2/h5-14,23-26,30-31H,3-4,15-20H2,1-2H3 MPOLZPRZMBTQLP-UHFFFAOYSA-N 9310 CHEMBL87690::(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis(2-ethoxyethyl)-5,6-dihydroxy-1,3-diazepan-2-one::Cyclic Urea 15 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1100 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9310 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9310&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463328 46510029 CHEMBL87690 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15846 COCCOCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CCOCCOC)C1=O |r| InChI=1S/C29H42N2O7/c1-35-17-19-37-15-13-30-25(21-23-9-5-3-6-10-23)27(32)28(33)26(22-24-11-7-4-8-12-24)31(29(30)34)14-16-38-20-18-36-2/h3-12,25-28,32-33H,13-22H2,1-2H3 WVMJDVBZEXLMQM-UHFFFAOYSA-N 9311 CHEMBL314901::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[2-(2-methoxyethoxy)ethyl]-1,3-diazepan-2-one::Cyclic Urea 16 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 7700 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9311 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9311&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463329 46510030 CHEMBL314901 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15847 CC(=C)CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(CC(C)=C)C1=O |r| InChI=1S/C27H34N2O3/c1-19(2)17-28-23(15-21-11-7-5-8-12-21)25(30)26(31)24(16-22-13-9-6-10-14-22)29(27(28)32)18-20(3)4/h5-14,23-26,30-31H,1,3,15-18H2,2,4H3 RVNBWRQFBXXQCM-UHFFFAOYSA-N 9312 CHEMBL313188::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(2-methylprop-2-en-1-yl)-1,3-diazepan-2-one::Cyclic Urea 24 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 7.3 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9312 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9312&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 10526836 46510031 CHEMBL313188 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15848 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC#C)C(=O)N(CC#C)[C@@H]1Cc1ccccc1 |r| InChI=1S/C25H26N2O3/c1-3-15-26-21(17-19-11-7-5-8-12-19)23(28)24(29)22(27(16-4-2)25(26)30)18-20-13-9-6-10-14-20/h1-2,5-14,21-24,28-29H,15-18H2 HWOINVSGNIWHKK-UHFFFAOYSA-N 9313 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(prop-2-yn-1-yl)-1,3-diazepan-2-one::CHEMBL313008::Cyclic Urea 27 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 22 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9313 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9313&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463356 46510032 CHEMBL313008 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15849 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccccn2)C(=O)N(Cc2ccccn2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C31H32N4O3/c36-29-27(19-23-11-3-1-4-12-23)34(21-25-15-7-9-17-32-25)31(38)35(22-26-16-8-10-18-33-26)28(30(29)37)20-24-13-5-2-6-14-24/h1-18,27-30,36-37H,19-22H2 LEQMLOFBCWZPIR-UHFFFAOYSA-N 9314 CHEMBL315439::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-2-ylmethyl)-1,3-diazepan-2-one::Cyclic Urea 34 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 145 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9314 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9314&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463358 46510033 CHEMBL315439 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15850 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccnc2)C(=O)N(Cc2cccnc2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C31H32N4O3/c36-29-27(17-23-9-3-1-4-10-23)34(21-25-13-7-15-32-19-25)31(38)35(22-26-14-8-16-33-20-26)28(30(29)37)18-24-11-5-2-6-12-24/h1-16,19-20,27-30,36-37H,17-18,21-22H2 GMQJLAMTPFFOGB-UHFFFAOYSA-N 9315 CHEMBL315639::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-3-ylmethyl)-1,3-diazepan-2-one::Cyclic Urea 35 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 9.7 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9315 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9315&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463360 46510034 CHEMBL315639 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15851 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccncc2)C(=O)N(Cc2ccncc2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C31H32N4O3/c36-29-27(19-23-7-3-1-4-8-23)34(21-25-11-15-32-16-12-25)31(38)35(22-26-13-17-33-18-14-26)28(30(29)37)20-24-9-5-2-6-10-24/h1-18,27-30,36-37H,19-22H2 DPLHSSKHQGEHNY-UHFFFAOYSA-N 9316 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(pyridin-4-ylmethyl)-1,3-diazepan-2-one::CHEMBL315177::Cyclic Urea 36 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 90 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9316 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9316&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463361 46510035 CHEMBL315177 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15852 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccncc2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C36H35N3O3/c40-34-32(22-26-9-3-1-4-10-26)38(24-28-17-19-37-20-18-28)36(42)39(33(35(34)41)23-27-11-5-2-6-12-27)25-29-15-16-30-13-7-8-14-31(30)21-29/h1-21,32-35,40-41H,22-25H2 CUWXKTMQEYYKBE-UHFFFAOYSA-N 9317 CHEMBL315300::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-(naphthalen-2-ylmethyl)-3-(pyridin-4-ylmethyl)-1,3-diazepan-2-one::Cyclic Urea 69 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 6.9 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9317 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9317&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463373 46510036 CHEMBL315300 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15853 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccc(F)cc2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C37H35FN2O3/c38-32-19-16-28(17-20-32)24-39-33(22-26-9-3-1-4-10-26)35(41)36(42)34(23-27-11-5-2-6-12-27)40(37(39)43)25-29-15-18-30-13-7-8-14-31(30)21-29/h1-21,33-36,41-42H,22-25H2 BPRDTHVBAHPJNR-UHFFFAOYSA-N 9318 (4R,5S,6S,7R)-4,7-dibenzyl-1-[(4-fluorophenyl)methyl]-5,6-dihydroxy-3-(naphthalen-2-ylmethyl)-1,3-diazepan-2-one::CHEMBL315306::Cyclic Urea 70 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 3.6 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9318 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9318&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463371 46510037 CHEMBL315306 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15854 OCc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4ccccc4c3)C2=O)cc1 |r| InChI=1S/C38H38N2O4/c41-26-30-17-15-29(16-18-30)24-39-34(22-27-9-3-1-4-10-27)36(42)37(43)35(23-28-11-5-2-6-12-28)40(38(39)44)25-31-19-20-32-13-7-8-14-33(32)21-31/h1-21,34-37,41-43H,22-26H2 CGEAVTIBLIALNG-UHFFFAOYSA-N 9319 CHEMBL87408::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{[4-(hydroxymethyl)phenyl]methyl}-1-(naphthalen-2-ylmethyl)-1,3-diazepan-2-one::Cyclic Urea 71 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.93 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9319 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9319&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463372 46510038 CHEMBL87408 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15855 Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4ccccc4c3)C2=O)c1 |r| InChI=1S/C37H37N3O3/c38-32-17-9-14-28(21-32)24-39-33(22-26-10-3-1-4-11-26)35(41)36(42)34(23-27-12-5-2-6-13-27)40(37(39)43)25-29-18-19-30-15-7-8-16-31(30)20-29/h1-21,33-36,41-42H,22-25,38H2 RVUHKVKFSGQQIN-UHFFFAOYSA-N 9320 CHEMBL87592::(4R,5S,6S,7R)-1-[(3-aminophenyl)methyl]-4,7-dibenzyl-5,6-dihydroxy-3-(naphthalen-2-ylmethyl)-1,3-diazepan-2-one::Cyclic Urea 72 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1.0 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9320 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9320&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463374 46510039 CHEMBL87592 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15856 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2cccc(O)c2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C37H36N2O4/c40-32-17-9-14-28(21-32)24-38-33(22-26-10-3-1-4-11-26)35(41)36(42)34(23-27-12-5-2-6-13-27)39(37(38)43)25-29-18-19-30-15-7-8-16-31(30)20-29/h1-21,33-36,40-42H,22-25H2 SBKIEODZDWYACX-UHFFFAOYSA-N 9321 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[(3-hydroxyphenyl)methyl]-1-(naphthalen-2-ylmethyl)-1,3-diazepan-2-one::CHEMBL412810::Cyclic Urea 73 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.33 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9321 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9321&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463375 46510040 CHEMBL412810 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15857 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc3ccccc23)C(=O)N(Cc2cccc3ccccc23)[C@@H]1Cc1ccccc1 |r| InChI=1S/C41H38N2O3/c44-39-37(25-29-13-3-1-4-14-29)42(27-33-21-11-19-31-17-7-9-23-35(31)33)41(46)43(38(40(39)45)26-30-15-5-2-6-16-30)28-34-22-12-20-32-18-8-10-24-36(32)34/h1-24,37-40,44-45H,25-28H2 XVVVWGGOGOEGCN-UHFFFAOYSA-N 9322 CHEMBL432566::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(naphthalen-1-ylmethyl)-1,3-diazepan-2-one::Cyclic Urea 37 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 86 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9322 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9322&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 456616 46510041 CHEMBL432566 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15858 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccccc2F)C(=O)N(Cc2ccccc2F)[C@@H]1Cc1ccccc1 |r| InChI=1S/C33H32F2N2O3/c34-27-17-9-7-15-25(27)21-36-29(19-23-11-3-1-4-12-23)31(38)32(39)30(20-24-13-5-2-6-14-24)37(33(36)40)22-26-16-8-10-18-28(26)35/h1-18,29-32,38-39H,19-22H2 DCGZDWXALWANQB-UHFFFAOYSA-N 9323 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(2-fluorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one::CHEMBL87142::Cyclic Urea 39 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 34 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9323 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9323&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463339 46510042 CHEMBL87142 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15859 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(F)c2)C(=O)N(Cc2cccc(F)c2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C33H32F2N2O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-32,38-39H,19-22H2 DORNGHWKRMVHHU-UHFFFAOYSA-N 9324 CHEMBL418939::(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(3-fluorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one::Cyclic Urea 40 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 3.0 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9324 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9324&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463338 46510043 CHEMBL418939 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15860 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(F)cc2)C(=O)N(Cc2ccc(F)cc2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C33H32F2N2O3/c34-27-15-11-25(12-16-27)21-36-29(19-23-7-3-1-4-8-23)31(38)32(39)30(20-24-9-5-2-6-10-24)37(33(36)40)22-26-13-17-28(35)18-14-26/h1-18,29-32,38-39H,19-22H2 UWMAWECJLCRQTB-UHFFFAOYSA-N 9325 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(4-fluorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one::CHEMBL85771::Cyclic Urea 41 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1.4 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9325 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9325&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463340 46510044 CHEMBL85771 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15861 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccccc2Cl)C(=O)N(Cc2ccccc2Cl)[C@@H]1Cc1ccccc1 |r| InChI=1S/C33H32Cl2N2O3/c34-27-17-9-7-15-25(27)21-36-29(19-23-11-3-1-4-12-23)31(38)32(39)30(20-24-13-5-2-6-14-24)37(33(36)40)22-26-16-8-10-18-28(26)35/h1-18,29-32,38-39H,19-22H2 DOUAIUPZABTSSV-UHFFFAOYSA-N 9326 CHEMBL419494::(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(2-chlorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one::Cyclic Urea 42 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 240 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9326 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9326&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463341 46510045 CHEMBL419494 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15862 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(Cl)c2)C(=O)N(Cc2cccc(Cl)c2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C33H32Cl2N2O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-32,38-39H,19-22H2 ZUJGJNYAFLLTGY-UHFFFAOYSA-N 9327 (4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(3-chlorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one::CHEMBL312930::Cyclic Urea 43 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.89 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9327 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9327&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463342 46510046 CHEMBL312930 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15863 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(Cl)cc2)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C33H32Cl2N2O3/c34-27-15-11-25(12-16-27)21-36-29(19-23-7-3-1-4-8-23)31(38)32(39)30(20-24-9-5-2-6-10-24)37(33(36)40)22-26-13-17-28(35)18-14-26/h1-18,29-32,38-39H,19-22H2 DZUIVLUOOCSDIW-UHFFFAOYSA-N 9328 CHEMBL87991::(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(4-chlorophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one::Cyclic Urea 44 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 5.2 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9328 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9328&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463343 46510047 CHEMBL87991 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15864 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(Br)c2)C(=O)N(Cc2cccc(Br)c2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C33H32Br2N2O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-32,38-39H,19-22H2 DCQYMSCVLYZBBA-UHFFFAOYSA-N 9329 CHEMBL315174::(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(3-bromophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one::Cyclic Urea 45 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1.4 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9329 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9329&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463345 46510048 CHEMBL315174 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15865 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(Br)cc2)C(=O)N(Cc2ccc(Br)cc2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C33H32Br2N2O3/c34-27-15-11-25(12-16-27)21-36-29(19-23-7-3-1-4-8-23)31(38)32(39)30(20-24-9-5-2-6-10-24)37(33(36)40)22-26-13-17-28(35)18-14-26/h1-18,29-32,38-39H,19-22H2 ICAZGZKNGRQKPM-UHFFFAOYSA-N 9330 CHEMBL87919::(4R,5S,6S,7R)-4,7-dibenzyl-1,3-bis[(4-bromophenyl)methyl]-5,6-dihydroxy-1,3-diazepan-2-one::Cyclic Urea 46 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 27 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9330 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9330&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463344 46510049 CHEMBL87919 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15866 Cc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(C)c3)C2=O)c1 |r| InChI=1S/C35H38N2O3/c1-25-11-9-17-29(19-25)23-36-31(21-27-13-5-3-6-14-27)33(38)34(39)32(22-28-15-7-4-8-16-28)37(35(36)40)24-30-18-10-12-26(2)20-30/h3-20,31-34,38-39H,21-24H2,1-2H3 FHWFGNNPLKNFPL-UHFFFAOYSA-N 9331 CHEMBL84734::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(3-methylphenyl)methyl]-1,3-diazepan-2-one::Cyclic Urea 47 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 7.0 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9331 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9331&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463346 46510050 CHEMBL84734 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15867 Cc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(C)cc3)C2=O)cc1 |r| InChI=1S/C35H38N2O3/c1-25-13-17-29(18-14-25)23-36-31(21-27-9-5-3-6-10-27)33(38)34(39)32(22-28-11-7-4-8-12-28)37(35(36)40)24-30-19-15-26(2)16-20-30/h3-20,31-34,38-39H,21-24H2,1-2H3 VCEGGCOXLZWFIB-UHFFFAOYSA-N 9332 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(4-methylphenyl)methyl]-1,3-diazepan-2-one::CHEMBL422772::Cyclic Urea 48 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 5.7 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9332 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9332&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463347 46510051 CHEMBL422772 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15868 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)C(F)(F)F)C(=O)N(Cc2cccc(c2)C(F)(F)F)[C@@H]1Cc1ccccc1 |r| InChI=1S/C35H32F6N2O3/c36-34(37,38)27-15-7-13-25(17-27)21-42-29(19-23-9-3-1-4-10-23)31(44)32(45)30(20-24-11-5-2-6-12-24)43(33(42)46)22-26-14-8-16-28(18-26)35(39,40)41/h1-18,29-32,44-45H,19-22H2 DVAMPQUOHXJGKH-UHFFFAOYSA-N 9333 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[3-(trifluoromethyl)phenyl]methyl})-1,3-diazepan-2-one::CHEMBL314944::Cyclic Urea 49 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 22 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9333 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9333&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463348 46510052 CHEMBL314944 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15869 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc(cc2)C(F)(F)F)C(=O)N(Cc2ccc(cc2)C(F)(F)F)[C@@H]1Cc1ccccc1 |r| InChI=1S/C35H32F6N2O3/c36-34(37,38)27-15-11-25(12-16-27)21-42-29(19-23-7-3-1-4-8-23)31(44)32(45)30(20-24-9-5-2-6-10-24)43(33(42)46)22-26-13-17-28(18-14-26)35(39,40)41/h1-18,29-32,44-45H,19-22H2 JWCCTWQEZATYNQ-UHFFFAOYSA-N 9334 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[4-(trifluoromethyl)phenyl]methyl})-1,3-diazepan-2-one::CHEMBL316433::Cyclic Urea 50 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 51 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9334 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9334&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463349 46510053 CHEMBL316433 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15870 COc1ccccc1CN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccccc2OC)C1=O |r| InChI=1S/C35H38N2O5/c1-41-31-19-11-9-17-27(31)23-36-29(21-25-13-5-3-6-14-25)33(38)34(39)30(22-26-15-7-4-8-16-26)37(35(36)40)24-28-18-10-12-20-32(28)42-2/h3-20,29-30,33-34,38-39H,21-24H2,1-2H3 QQTYYSUDBSWZEF-UHFFFAOYSA-N 9335 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(2-methoxyphenyl)methyl]-1,3-diazepan-2-one::CHEMBL312890::Cyclic Urea 51 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1870 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9335 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9335&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463350 46510054 CHEMBL312890 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15871 COc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(OC)c3)C2=O)c1 |r| InChI=1S/C35H38N2O5/c1-41-29-17-9-15-27(19-29)23-36-31(21-25-11-5-3-6-12-25)33(38)34(39)32(22-26-13-7-4-8-14-26)37(35(36)40)24-28-16-10-18-30(20-28)42-2/h3-20,31-34,38-39H,21-24H2,1-2H3 YDPDKRBSDWRYSP-UHFFFAOYSA-N 9336 CHEMBL313289::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(3-methoxyphenyl)methyl]-1,3-diazepan-2-one::Cyclic Urea 52 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1.6 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9336 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9336&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 461650 46510055 CHEMBL313289 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15872 COc1ccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc1 |r| InChI=1S/C35H38N2O5/c1-41-29-17-13-27(14-18-29)23-36-31(21-25-9-5-3-6-10-25)33(38)34(39)32(22-26-11-7-4-8-12-26)37(35(36)40)24-28-15-19-30(42-2)20-16-28/h3-20,31-34,38-39H,21-24H2,1-2H3 WHRABYWAWCKTGZ-UHFFFAOYSA-N 9337 CHEMBL89794::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazepan-2-one::Cyclic Urea 53 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 157 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9337 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9337&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 455166 46510056 CHEMBL89794 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15873 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(I)c2)C(=O)N(Cc2cccc(I)c2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C33H32I2N2O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-32,38-39H,19-22H2 JRHBADZWYCWKNA-UHFFFAOYSA-N 9338 CHEMBL85294::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis[(3-iodophenyl)methyl]-1,3-diazepan-2-one::Cyclic Urea 55 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.42 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9338 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9338&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463363 46510057 CHEMBL85294 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15874 OCc1ccc(CN2[C@@H](Cc3ccccc3)[C@@H](O)[C@H](O)[C@H](Cc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1 |r| InChI=1S/C35H38N2O5/c38-23-29-15-11-27(12-16-29)21-36-31(19-25-7-3-1-4-8-25)33(40)34(41)32(20-26-9-5-2-6-10-26)37(35(36)42)22-28-13-17-30(24-39)18-14-28/h1-18,31-34,38-41H,19-24H2 XCVGQMUMMDXKCY-UHFFFAOYSA-N 9339 (4S,5R,6R,7S)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[4-(hydroxymethyl)phenyl]methyl})-1,3-diazepan-2-one::Cyclic Urea 61 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1650 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9339 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9339&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 132943 46510058 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15875 CCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C1=O |r| InChI=1S/C33H36N2O3/c1-2-19-34-29(21-24-11-5-3-6-12-24)31(36)32(37)30(22-25-13-7-4-8-14-25)35(33(34)38)23-26-17-18-27-15-9-10-16-28(27)20-26/h3-18,20,29-32,36-37H,2,19,21-23H2,1H3 OSESYLJAMKLVDA-UHFFFAOYSA-N 9340 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-(naphthalen-2-ylmethyl)-3-propyl-1,3-diazepan-2-one::CHEMBL313520::Cyclic Urea 62 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1.1 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9340 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9340&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463359 46510059 CHEMBL313520 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15876 CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C1=O |r| InChI=1S/C34H38N2O3/c1-2-3-20-35-30(22-25-12-6-4-7-13-25)32(37)33(38)31(23-26-14-8-5-9-15-26)36(34(35)39)24-27-18-19-28-16-10-11-17-29(28)21-27/h4-19,21,30-33,37-38H,2-3,20,22-24H2,1H3 OOJVHJCVKLRBDZ-UHFFFAOYSA-N 9341 (4R,5S,6S,7R)-4,7-dibenzyl-1-butyl-5,6-dihydroxy-3-(naphthalen-2-ylmethyl)-1,3-diazepan-2-one::CHEMBL85915::Cyclic Urea 63 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.6 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9341 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9341&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463365 46510060 CHEMBL85915 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15877 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(CC=C)[C@@H]1Cc1ccccc1 |r| InChI=1S/C33H34N2O3/c1-2-19-34-29(21-24-11-5-3-6-12-24)31(36)32(37)30(22-25-13-7-4-8-14-25)35(33(34)38)23-26-17-18-27-15-9-10-16-28(27)20-26/h2-18,20,29-32,36-37H,1,19,21-23H2 AFJXCHNRSQQDSV-UHFFFAOYSA-N 9342 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-(naphthalen-2-ylmethyl)-3-(prop-2-en-1-yl)-1,3-diazepan-2-one::CHEMBL313732::Cyclic Urea 64 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1.4 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9342 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9342&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463368 46510061 CHEMBL313732 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15878 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(CC2CC2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C34H36N2O3/c37-32-30(20-24-9-3-1-4-10-24)35(22-26-15-16-26)34(39)36(31(33(32)38)21-25-11-5-2-6-12-25)23-27-17-18-28-13-7-8-14-29(28)19-27/h1-14,17-19,26,30-33,37-38H,15-16,20-23H2 WIWOANAWRGKNSI-UHFFFAOYSA-N 9343 CHEMBL86959::(4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopropylmethyl)-5,6-dihydroxy-3-(naphthalen-2-ylmethyl)-1,3-diazepan-2-one::Cyclic Urea 65 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 1.5 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9343 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9343&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463367 46510062 CHEMBL86959 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15879 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(C2CCCC2)C(=O)N(Cc2ccc3ccccc3c2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C35H38N2O3/c38-33-31(22-25-11-3-1-4-12-25)36(24-27-19-20-28-15-7-8-16-29(28)21-27)35(40)37(30-17-9-10-18-30)32(34(33)39)23-26-13-5-2-6-14-26/h1-8,11-16,19-21,30-34,38-39H,9-10,17-18,22-24H2 LUZBHUHGIORDFL-UHFFFAOYSA-N 9344 CHEMBL87329::(4R,5S,6S,7R)-4,7-dibenzyl-1-cyclopentyl-5,6-dihydroxy-3-(naphthalen-2-ylmethyl)-1,3-diazepan-2-one::Cyclic Urea 66 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 0.28 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9344 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9344&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463377 46510063 CHEMBL87329 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15880 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccccc2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C37H36N2O3/c40-35-33(23-27-12-4-1-5-13-27)38(25-29-16-8-3-9-17-29)37(42)39(34(36(35)41)24-28-14-6-2-7-15-28)26-30-20-21-31-18-10-11-19-32(31)22-30/h1-22,33-36,40-41H,23-26H2 WKDQVKFIFTZIHF-UHFFFAOYSA-N 9345 CHEMBL87476::(4R,5S,6S,7R)-1,4,7-tribenzyl-5,6-dihydroxy-3-(naphthalen-2-ylmethyl)-1,3-diazepan-2-one::Cyclic Urea 67 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 2.3 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9345 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9345&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463369 46510064 CHEMBL87476 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367 15881 O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3ccccc3c2)C(=O)N(Cc2cccnc2)[C@@H]1Cc1ccccc1 |r| InChI=1S/C36H35N3O3/c40-34-32(21-26-10-3-1-4-11-26)38(24-28-17-18-30-15-7-8-16-31(30)20-28)36(42)39(25-29-14-9-19-37-23-29)33(35(34)41)22-27-12-5-2-6-13-27/h1-20,23,32-35,40-41H,21-22,24-25H2 RCUVMESRLXGXNW-UHFFFAOYSA-N 9346 CHEMBL314709::(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1-(naphthalen-2-ylmethyl)-3-(pyridin-3-ylmethyl)-1,3-diazepan-2-one::Cyclic Urea 68 Dimer of Gag-Pol polyprotein [501-599] Human immunodeficiency virus 1 5.2 Curated from the literature by BindingDB 10.1021/jm9602571 10.7270/Q2ZW1J3M 8784449 aid1795214 Lam, PY; Ru, Y; Jadhav, PK; Aldrich, PE; DeLucca, GV; Eyermann, CJ; Chang, CH; Emmett, G; Holler, ER; Daneker, WF; Li, L; Confalone, PN; McHugh, RJ; Han, Q; Li, R; Markwalder, JA; Seitz, SP; Sharpe, TR; Bacheler, LT; Rayner, MM; Klabe, RM; Shum, L; Winslow, DL; Kornhauser, DM; Hodge, CN 8/30/1996 10/18/2001 Dupont Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=9346 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=56&target=Dimer+of+Gag-Pol+polyprotein+%5B501-599%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=9346&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B501-599%5D&column=ki&startPg=0&Increment=50&submit=Search 463370 46510065 CHEMBL314709 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 1W5Y,1W5X,1W5W,1W5V,2FDE,7UPJ,6UWC,6UWB,6D0E,6D0D,5TYS,5TYR,4I8Z,4I8W,4HLA,4FE6,3T11,3PSU,3PHV,3GGX,3GGV,3GGA,3CKT,3BHE,3BGC,3BGB,2ZGA,2WKZ,2UY0,2UXZ,2UPJ,2QNQ,2QNP,2QNN,2PWR,2PWC,2PQZ,2CEN,2CEM,2CEJ,2BQV,2BPZ,2BPY,2BPX,2BPW,2BPV,2BBB,2BB9,2AQU,2A4F,1ZSR,1ZSF,1YT9,1XL5,1XL2,1WBM,1WBK,1UPJ,1U8G,1T7K,1SP5,1OHR,1NPW,1NPV,1NPA,1NH0,1MUI,1M0B,1IIQ,1HVL,1HVK,1HVJ,1HVI,1HTG,1HTF,1HTE,1HSG,1HPX,1HPV,1HPS,1HOS,1HIH,1HHP,1HBV,1GNO,1G35,1G2K,1FQX,1EC3,1EC2,1EC1,1EC0,1EBZ,1EBW,1DIF,1D4J,1D4I,1D4H,1C70,1AJX,1AJV Gag-Pol polyprotein POL_HV1BR P03367