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 50 669 [H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C48H58N8O6S2/c1-47(2)39(55-45(63-47)37(41(59)51-29-33-21-13-7-14-22-33)53-35(57)27-31-17-9-5-10-18-31)43(61)49-25-26-50-44(62)40-48(3,4)64-46(56-40)38(42(60)52-30-34-23-15-8-16-24-34)54-36(58)28-32-19-11-6-12-20-32/h5-24,37-40,45-46,55-56H,25-30H2,1-4H3,(H,49,61)(H,50,62)(H,51,59)(H,52,60)(H,53,57)(H,54,58) RSEVSRUJHNNIBW-UHFFFAOYSA-N 591 (2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-N-(2-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}ethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::CHEMBL102664::penicillin deriv. 4 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 0.9 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=591 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=591&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 454663 8030489 CHEMBL102664 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 670 [H][C@]1(N[C@@H](C(=O)NCCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C49H60N8O6S2/c1-48(2)40(56-46(64-48)38(42(60)52-30-34-22-13-7-14-23-34)54-36(58)28-32-18-9-5-10-19-32)44(62)50-26-17-27-51-45(63)41-49(3,4)65-47(57-41)39(43(61)53-31-35-24-15-8-16-25-35)55-37(59)29-33-20-11-6-12-21-33/h5-16,18-25,38-41,46-47,56-57H,17,26-31H2,1-4H3,(H,50,62)(H,51,63)(H,52,60)(H,53,61)(H,54,58)(H,55,59) XMIJDZJXXSLMTK-UHFFFAOYSA-N 635 Penicillin Et(NH)2 Sym dimer ::CHEMBL318844::(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-N-(3-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}propyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::penicillin deriv. 48 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 540 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=635 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=635&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 454664 8030531 CHEMBL318844 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 671 [H][C@]1(N[C@@H](C(=O)NCC(O)CNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C49H60N8O7S2/c1-48(2)40(56-46(65-48)38(42(61)50-27-33-21-13-7-14-22-33)54-36(59)25-31-17-9-5-10-18-31)44(63)52-29-35(58)30-53-45(64)41-49(3,4)66-47(57-41)39(43(62)51-28-34-23-15-8-16-24-34)55-37(60)26-32-19-11-6-12-20-32/h5-24,35,38-41,46-47,56-58H,25-30H2,1-4H3,(H,50,61)(H,51,62)(H,52,63)(H,53,64)(H,54,59)(H,55,60) GXCDCTCRXPBCGV-UHFFFAOYSA-N 636 CHEMBL317882::(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-N-(3-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-2-hydroxypropyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::Penicillin Et(NH)2 Sym dimer ::penicillin deriv. 49 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 5 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=636 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=636&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 454666 8030532 CHEMBL317882 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 672 [H][C@]1(N[C@@H](C(N)=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C23H28N4O3S/c1-23(2)19(20(24)29)27-22(31-23)18(21(30)25-14-16-11-7-4-8-12-16)26-17(28)13-15-9-5-3-6-10-15/h3-12,18-19,22,27H,13-14H2,1-2H3,(H2,24,29)(H,25,30)(H,26,28) FHJRDQOWYRRIAG-UHFFFAOYSA-N 637 [2R-[2a(R*),4B]]-4-Carbamoyl-5,5-dimethyl-a-[(phenylacetyl)amino]-N-(phenylmethyl)-2-thiazolidineacetamide::(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::penicillin deriv. 50 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >230000 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=637 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=637&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455008 8030533 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 673 [H][C@]1(N[C@@H](C(=O)NCCO)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C25H32N4O4S/c1-25(2)21(23(33)26-13-14-30)29-24(34-25)20(22(32)27-16-18-11-7-4-8-12-18)28-19(31)15-17-9-5-3-6-10-17/h3-12,20-21,24,29-30H,13-16H2,1-2H3,(H,26,33)(H,27,32)(H,28,31) VBUYWJMBLILCOH-UHFFFAOYSA-N 638 (2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-N-(2-hydroxyethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::penicillin deriv. 51 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 180000 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=638 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=638&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455009 8030534 C04080 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 674 [H][C@]1(N[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C32H38N4O4S/c1-32(2)28(30(40)34-25(21-37)18-22-12-6-3-7-13-22)36-31(41-32)27(29(39)33-20-24-16-10-5-11-17-24)35-26(38)19-23-14-8-4-9-15-23/h3-17,25,27-28,31,36-37H,18-21H2,1-2H3,(H,33,39)(H,34,40)(H,35,38) USQYZVYUUXQZHL-UHFFFAOYSA-N 639 (2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::penicillin deriv. 52 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >170000 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=639 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=639&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455010 8030535 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 675 [H][C@]1(N[C@@H](C(=O)N[C@@H](CO)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C32H38N4O4S/c1-32(2)28(30(40)34-25(21-37)18-22-12-6-3-7-13-22)36-31(41-32)27(29(39)33-20-24-16-10-5-11-17-24)35-26(38)19-23-14-8-4-9-15-23/h3-17,25,27-28,31,36-37H,18-21H2,1-2H3,(H,33,39)(H,34,40)(H,35,38) USQYZVYUUXQZHL-UHFFFAOYSA-N 640 [2R-[2a(R*),4B(R)]]-5,5-Dimethyl-a-[(phenylacety1)amino]-N-(phenylmethyl)-4-[[[1-(2-phenyl-1-( hydroxymethyl))ethyl]amino]carbonyl]-2-thiazolidineacetamide::(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::penicillin deriv. 53 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 150 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=640 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=640&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 446137 8030536 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 676 [H][C@]1(N[C@@H](C(=O)N[C@H](CO)CCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C33H40N4O4S/c1-33(2)29(31(41)35-26(22-38)19-18-23-12-6-3-7-13-23)37-32(42-33)28(30(40)34-21-25-16-10-5-11-17-25)36-27(39)20-24-14-8-4-9-15-24/h3-17,26,28-29,32,37-38H,18-22H2,1-2H3,(H,34,40)(H,35,41)(H,36,39) XYMBMWROXCSVHN-UHFFFAOYSA-N 641 (2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-N-[(2S)-1-hydroxy-4-phenylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::penicillin deriv. 54 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 26000 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=641 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=641&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455011 8030537 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 677 [H][C@]1(N[C@@H](C(=O)N[C@@H](CO)CCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C33H40N4O4S/c1-33(2)29(31(41)35-26(22-38)19-18-23-12-6-3-7-13-23)37-32(42-33)28(30(40)34-21-25-16-10-5-11-17-25)36-27(39)20-24-14-8-4-9-15-24/h3-17,26,28-29,32,37-38H,18-22H2,1-2H3,(H,34,40)(H,35,41)(H,36,39) XYMBMWROXCSVHN-UHFFFAOYSA-N 642 (2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-N-[(2R)-1-hydroxy-4-phenylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::penicillin deriv. 55 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 25000 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=642 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=642&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455012 8030538 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 678 [H][C@]1(N[C@@H](C(=O)N[C@@H](CO)CC(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C29H40N4O4S/c1-19(2)15-22(18-34)31-27(37)25-29(3,4)38-28(33-25)24(26(36)30-17-21-13-9-6-10-14-21)32-23(35)16-20-11-7-5-8-12-20/h5-14,19,22,24-25,28,33-34H,15-18H2,1-4H3,(H,30,36)(H,31,37)(H,32,35) QXFCNTMNRXZPSF-UHFFFAOYSA-N 643 (2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::penicillin deriv. 56 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >4600 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=643 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=643&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455013 8030539 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 679 [H][C@]1(N[C@@H](C(=O)N[C@@H](CO)C(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C28H38N4O4S/c1-18(2)21(17-33)30-26(36)24-28(3,4)37-27(32-24)23(25(35)29-16-20-13-9-6-10-14-20)31-22(34)15-19-11-7-5-8-12-19/h5-14,18,21,23-24,27,32-33H,15-17H2,1-4H3,(H,29,35)(H,30,36)(H,31,34) VKKGVLUDMWPWOL-UHFFFAOYSA-N 644 (2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::penicillin deriv. 57 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >4700 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=644 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=644&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455014 8030540 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 681 [H][C@]1(N[C@@H](C(=O)NC(CO)CCCC)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C29H40N4O4S/c1-4-5-16-22(19-34)31-27(37)25-29(2,3)38-28(33-25)24(26(36)30-18-21-14-10-7-11-15-21)32-23(35)17-20-12-8-6-9-13-20/h6-15,22,24-25,28,33-34H,4-5,16-19H2,1-3H3,(H,30,36)(H,31,37)(H,32,35) JRGKTJWRQVHKOO-UHFFFAOYSA-N 646 (2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-N-(1-hydroxyhexan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::penicillin deriv. 59 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 250 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=646 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=646&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455015 8030541 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 682 [H][C@]1(N[C@@H](C(=O)NC(CO)C(C)CC)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C29H40N4O4S/c1-5-19(2)22(18-34)31-27(37)25-29(3,4)38-28(33-25)24(26(36)30-17-21-14-10-7-11-15-21)32-23(35)16-20-12-8-6-9-13-20/h6-15,19,22,24-25,28,33-34H,5,16-18H2,1-4H3,(H,30,36)(H,31,37)(H,32,35) BCZIGYZPCOHKSH-UHFFFAOYSA-N 647 (2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-N-(1-hydroxy-3-methylpentan-2-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::penicillin deriv. 60 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >540 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=647 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=647&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455018 8030542 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 683 [H][C@]1(N[C@@H](C(=O)N[C@H](C)CO)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C26H34N4O4S/c1-17(16-31)28-24(34)22-26(2,3)35-25(30-22)21(23(33)27-15-19-12-8-5-9-13-19)29-20(32)14-18-10-6-4-7-11-18/h4-13,17,21-22,25,30-31H,14-16H2,1-3H3,(H,27,33)(H,28,34)(H,29,32) SSQONQKUEJFTBA-UHFFFAOYSA-N 648 (2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-N-[(2R)-1-hydroxypropan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::penicillin deriv. 61 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >20000 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=648 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=648&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455020 8030543 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 684 [H][C@]1(N[C@@H](C(=O)N[C@@H](C)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C32H38N4O3S/c1-22(19-23-13-7-4-8-14-23)34-30(39)28-32(2,3)40-31(36-28)27(29(38)33-21-25-17-11-6-12-18-25)35-26(37)20-24-15-9-5-10-16-24/h4-18,22,27-28,31,36H,19-21H2,1-3H3,(H,33,38)(H,34,39)(H,35,37) QTNAAUNGPVSOQG-UHFFFAOYSA-N 649 (2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-N-[(2S)-1-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide::penicillin deriv. 62 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >180000 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=649 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=649&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455021 8030544 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 685 [H][C@]1(N[C@@H](C(=O)N[C@H](C)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C32H38N4O3S/c1-22(19-23-13-7-4-8-14-23)34-30(39)28-32(2,3)40-31(36-28)27(29(38)33-21-25-17-11-6-12-18-25)35-26(37)20-24-15-9-5-10-16-24/h4-18,22,27-28,31,36H,19-21H2,1-3H3,(H,33,38)(H,34,39)(H,35,37) QTNAAUNGPVSOQG-UHFFFAOYSA-N 650 (2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-N-[(2R)-1-phenylpropan-2-yl]-1,3-thiazolidine-4-carboxamide::penicillin deriv. 63 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >180000 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=650 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=650&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455022 8030545 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 686 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@@H](O)CC(N)=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C34H41N5O5S/c1-34(2)30(32(44)37-25(26(40)20-27(35)41)18-22-12-6-3-7-13-22)39-33(45-34)29(31(43)36-21-24-16-10-5-11-17-24)38-28(42)19-23-14-8-4-9-15-23/h3-17,25-26,29-30,33,39-40H,18-21H2,1-2H3,(H2,35,41)(H,36,43)(H,37,44)(H,38,42) KMGABVMIQPZZHU-UHFFFAOYSA-N 651 (3S,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-hydroxy-5-phenylpentanamide::penicillin deriv. 64 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 1900 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=651 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=651&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455023 8030546 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 687 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(N)=O)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C34H41N5O5S/c1-34(2)30(32(44)37-25(26(40)20-27(35)41)18-22-12-6-3-7-13-22)39-33(45-34)29(31(43)36-21-24-16-10-5-11-17-24)38-28(42)19-23-14-8-4-9-15-23/h3-17,25-26,29-30,33,39-40H,18-21H2,1-2H3,(H2,35,41)(H,36,43)(H,37,44)(H,38,42) KMGABVMIQPZZHU-UHFFFAOYSA-N 652 (3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-hydroxy-5-phenylpentanamide::penicillin deriv. 65 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 82 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=652 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=652&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455024 8030547 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 688 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@@H](O)CC(=O)NCC(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C38H49N5O5S/c1-25(2)23-39-31(45)22-30(44)29(20-26-14-8-5-9-15-26)41-36(48)34-38(3,4)49-37(43-34)33(35(47)40-24-28-18-12-7-13-19-28)42-32(46)21-27-16-10-6-11-17-27/h5-19,25,29-30,33-34,37,43-44H,20-24H2,1-4H3,(H,39,45)(H,40,47)(H,41,48)(H,42,46) VASWCZNNYHXDLS-UHFFFAOYSA-N 653 (3S,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-hydroxy-N-(2-methylpropyl)-5-phenylpentanamide::penicillin deriv. 66 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 2800 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=653 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=653&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455025 8030548 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 689 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)NCC(C)C)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C38H49N5O5S/c1-25(2)23-39-31(45)22-30(44)29(20-26-14-8-5-9-15-26)41-36(48)34-38(3,4)49-37(43-34)33(35(47)40-24-28-18-12-7-13-19-28)42-32(46)21-27-16-10-6-11-17-27/h5-19,25,29-30,33-34,37,43-44H,20-24H2,1-4H3,(H,39,45)(H,40,47)(H,41,48)(H,42,46) VASWCZNNYHXDLS-UHFFFAOYSA-N 654 (3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-hydroxy-N-(2-methylpropyl)-5-phenylpentanamide::[2R-[2a(R*),4B(R*,R*)]]-5,5-Dimethyl-a-[(phenylacetyl)-amino]-N (phenylmet hy1)-4-[[[1-[ 2-hydroxy-4-[1-(2-methylpropyl)amino]]-4-oxo-1-(phenylmethyl)butyl]amino]carbonyl]-2-thiazolidineacetamide::penicillin deriv. 67 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 69 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=654 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=654&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455026 8030549 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 690 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@@H](O)CC(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C41H47N5O5S/c1-41(2)37(39(51)44-32(23-28-15-7-3-8-16-28)33(47)25-34(48)42-26-30-19-11-5-12-20-30)46-40(52-41)36(38(50)43-27-31-21-13-6-14-22-31)45-35(49)24-29-17-9-4-10-18-29/h3-22,32-33,36-37,40,46-47H,23-27H2,1-2H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49) RNBNABRBLMLESP-UHFFFAOYSA-N 655 (3S,4R)-N-benzyl-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-hydroxy-5-phenylpentanamide::penicillin deriv. 68 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 2900 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=655 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=655&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455027 8030550 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 691 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C41H47N5O5S/c1-41(2)37(39(51)44-32(23-28-15-7-3-8-16-28)33(47)25-34(48)42-26-30-19-11-5-12-20-30)46-40(52-41)36(38(50)43-27-31-21-13-6-14-22-31)45-35(49)24-29-17-9-4-10-18-29/h3-22,32-33,36-37,40,46-47H,23-27H2,1-2H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49) RNBNABRBLMLESP-UHFFFAOYSA-N 656 (3R,4R)-N-benzyl-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-hydroxy-5-phenylpentanamide::penicillin deriv. 69 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 4.6 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=656 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=656&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455028 8030551 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 692 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@@H](O)CC(=O)Nc2nc3ccccc3[nH]2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C41H45N7O5S/c1-41(2)36(48-39(54-41)35(37(52)42-25-28-18-10-5-11-19-28)46-33(50)23-27-16-8-4-9-17-27)38(53)43-31(22-26-14-6-3-7-15-26)32(49)24-34(51)47-40-44-29-20-12-13-21-30(29)45-40/h3-21,31-32,35-36,39,48-49H,22-25H2,1-2H3,(H,42,52)(H,43,53)(H,46,50)(H2,44,45,47,51) BGTODZAMNVMTGT-UHFFFAOYSA-N 657 (3S,4R)-N-(1H-1,3-benzodiazol-2-yl)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-hydroxy-5-phenylpentanamide::penicillin deriv. 70 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 >3800 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=657 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=657&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455029 8030552 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 693 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)Nc2nc3ccccc3[nH]2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C41H45N7O5S/c1-41(2)36(48-39(54-41)35(37(52)42-25-28-18-10-5-11-19-28)46-33(50)23-27-16-8-4-9-17-27)38(53)43-31(22-26-14-6-3-7-15-26)32(49)24-34(51)47-40-44-29-20-12-13-21-30(29)45-40/h3-21,31-32,35-36,39,48-49H,22-25H2,1-2H3,(H,42,52)(H,43,53)(H,46,50)(H2,44,45,47,51) BGTODZAMNVMTGT-UHFFFAOYSA-N 658 (3R,4R)-N-(1H-1,3-benzodiazol-2-yl)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-hydroxy-5-phenylpentanamide::penicillin deriv. 71 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 3.8 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=658 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=658&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455030 8030553 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 694 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)N[C@@H](CO)c2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C42H49N5O6S/c1-42(2)38(47-41(54-42)37(39(52)43-26-30-19-11-5-12-20-30)46-35(50)24-29-17-9-4-10-18-29)40(53)45-32(23-28-15-7-3-8-16-28)34(49)25-36(51)44-33(27-48)31-21-13-6-14-22-31/h3-22,32-34,37-38,41,47-49H,23-27H2,1-2H3,(H,43,52)(H,44,51)(H,45,53)(H,46,50) QPKRELCYQDFLQW-UHFFFAOYSA-N 659 (3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide::penicillin deriv. 72 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 190 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=659 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=659&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455031 8030554 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 695 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)N[C@H](CO)c2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C42H49N5O6S/c1-42(2)38(47-41(54-42)37(39(52)43-26-30-19-11-5-12-20-30)46-35(50)24-29-17-9-4-10-18-29)40(53)45-32(23-28-15-7-3-8-16-28)34(49)25-36(51)44-33(27-48)31-21-13-6-14-22-31/h3-22,32-34,37-38,41,47-49H,23-27H2,1-2H3,(H,43,52)(H,44,51)(H,45,53)(H,46,50) QPKRELCYQDFLQW-UHFFFAOYSA-N 660 (3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide::penicillin deriv. 73 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 170 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=660 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=660&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455032 8030555 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 696 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)N[C@@H](CO)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C43H51N5O6S/c1-43(2)39(48-42(55-43)38(40(53)44-27-32-21-13-6-14-22-32)47-36(51)25-31-19-11-5-12-20-31)41(54)46-34(24-30-17-9-4-10-18-30)35(50)26-37(52)45-33(28-49)23-29-15-7-3-8-16-29/h3-22,33-35,38-39,42,48-50H,23-28H2,1-2H3,(H,44,53)(H,45,52)(H,46,54)(H,47,51) KFGIHCFGDLBYGM-UHFFFAOYSA-N 661 (3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-5-phenylpentanamide::penicillin deriv. 74 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 170 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=661 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=661&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455033 8030556 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 697 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)N[C@H](CO)Cc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C43H51N5O6S/c1-43(2)39(48-42(55-43)38(40(53)44-27-32-21-13-6-14-22-32)47-36(51)25-31-19-11-5-12-20-31)41(54)46-34(24-30-17-9-4-10-18-30)35(50)26-37(52)45-33(28-49)23-29-15-7-3-8-16-29/h3-22,33-35,38-39,42,48-50H,23-28H2,1-2H3,(H,44,53)(H,45,52)(H,46,54)(H,47,51) KFGIHCFGDLBYGM-UHFFFAOYSA-N 662 (3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5-phenylpentanamide::penicillin deriv. 75 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 220 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=662 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=662&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455034 8030557 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497 698 [H][C@]1(N[C@@H](C(=O)N[C@H](Cc2ccccc2)[C@H](O)CC(=O)NCCc2ncc[nH]2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r| InChI=1S/C39H47N7O5S/c1-39(2)35(37(51)44-29(22-26-12-6-3-7-13-26)30(47)24-32(48)42-19-18-31-40-20-21-41-31)46-38(52-39)34(36(50)43-25-28-16-10-5-11-17-28)45-33(49)23-27-14-8-4-9-15-27/h3-17,20-21,29-30,34-35,38,46-47H,18-19,22-25H2,1-2H3,(H,40,41)(H,42,48)(H,43,50)(H,44,51)(H,45,49) XCSQTRCCSZFEKV-UHFFFAOYSA-N 663 (3R,4R)-4-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}-3-hydroxy-N-[2-(1H-imidazol-2-yl)ethyl]-5-phenylpentanamide::penicillin deriv. 76 Dimer of Gag-Pol polyprotein [489-587] Human immunodeficiency virus 1 300 6.0000 37.00 C Curated from the literature by BindingDB 10.1021/jm00073a012 10.7270/Q20P0X6C 8230099 aid1795262 Holmes, DS; Bethell, RC; Cammack, N; Clemens, IR; Kitchin, J; McMeekin, P; Mo, CL; Orr, DC; Patel, B; Paternoster, IL 10/15/1993 4/21/2004 Glaxo Group Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=663 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=com&complexid=50&target=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=663&enzyme=Dimer+of+Gag-Pol+polyprotein+%5B489-587%5D&column=ki&startPg=0&Increment=50&submit=Search 455035 8030558 1 PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF 9HVP,7YF6,7WCQ,7WBS,6OYR,6OYD,6OGP,6MCS,6MCR,5IVS,5IVR,5IVQ,5HVP,4PHV,4LL3,3S85,3M9F,2QMP,2HVP,1VIK,1VIJ,1SBG,1PRO,1IZH,1HXW,1EBY,1A8G Gag-Pol polyprotein POL_HV1N5 P12497