Found 3 hits in this display Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Beta-lactamase
(Escherichia coli) | BDBM466983
((2S)-2-fluoro-2-[[(2S,5R)-2-[2-(methanesulfonamido...)Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(C)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C13H19FN4O7S/c1-7-5-8-6-17(13(22)18(8)25-10(14)12(20)21)9(7)11(19)15-3-4-16-26(2,23)24/h5,8-10,16H,3-4,6H2,1-2H3,(H,15,19)(H,20,21)/t8?,9-,10+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Entasis Therapeutics Limited
US Patent
| Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit... |
US Patent US10800778 (2020)
BindingDB Entry DOI: 10.7270/Q2DF6V9G |
More data for this Ligand-Target Pair | |
Beta-lactamase TEM
(Escherichia coli) | BDBM466983
((2S)-2-fluoro-2-[[(2S,5R)-2-[2-(methanesulfonamido...)Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(C)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C13H19FN4O7S/c1-7-5-8-6-17(13(22)18(8)25-10(14)12(20)21)9(7)11(19)15-3-4-16-26(2,23)24/h5,8-10,16H,3-4,6H2,1-2H3,(H,15,19)(H,20,21)/t8?,9-,10+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Entasis Therapeutics Limited
US Patent
| Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit... |
US Patent US10800778 (2020)
BindingDB Entry DOI: 10.7270/Q2DF6V9G |
More data for this Ligand-Target Pair | |
Beta-lactamase
(Klebsiella pneumoniae) | BDBM466983
((2S)-2-fluoro-2-[[(2S,5R)-2-[2-(methanesulfonamido...)Show SMILES CC1=C[C@@H]2CN([C@@H]1C(=O)NCCNS(C)(=O)=O)C(=O)N2O[C@@H](F)C(O)=O |r,t:1| Show InChI InChI=1S/C13H19FN4O7S/c1-7-5-8-6-17(13(22)18(8)25-10(14)12(20)21)9(7)11(19)15-3-4-16-26(2,23)24/h5,8-10,16H,3-4,6H2,1-2H3,(H,15,19)(H,20,21)/t8?,9-,10+/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Entasis Therapeutics Limited
US Patent
| Assay Description A buffer consisting of 0.1 M sodium phosphate (pH 7.0), 10 mM NaHCO3, and 0.005% Triton X-100 was used for all enzymes. The chromogenic substrate nit... |
US Patent US10800778 (2020)
BindingDB Entry DOI: 10.7270/Q2DF6V9G |
More data for this Ligand-Target Pair | |