TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T38179 Staphylococcus Beta-lactamase B0U5WZ Disodium;(2S,3R,6Z)-3-(acetyloxymethyl)-6-(carboxylatomethylidene)-3-methyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Investigative 44303051 C12H11NNa2O9S 391.26 CC(=O)OC[C@]1([C@@H](N2C(S1(=O)=O)/C(=C\\C(=O)[O-])/C2=O)C(=O)[O-])C.[Na+].[Na+] IC50 = 76530 nM Poor binder T38179 Staphylococcus Beta-lactamase B0X1VF Disodium;(2S,3R,6Z)-6-(carboxylatomethylidene)-3-[[2-(3,4-dihydroxyphenyl)acetyl]oxymethyl]-3-methyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Investigative 44303370 C18H15NNa2O11S 499.4 C[C@@]1([C@@H](N2C(S1(=O)=O)/C(=C\\C(=O)[O-])/C2=O)C(=O)[O-])COC(=O)CC3=CC(=C(C=C3)O)O.[Na+].[Na+] IC50 = 116000 nM Poor binder T38179 Staphylococcus Beta-lactamase B1Z5OI 2-Methylene-3-methyl-4-(sodiooxycarbonyl)-7-[(Z)-(2-pyridinyl)methylene]cepham-3-ene 1,1-dioxide Investigative 44381218 C15H11N2NaO5S 354.3 CC1=C(N2[C@@H](/C(=C\\C3=CC=CC=N3)/C2=O)S(=O)(=O)C1=C)C(=O)[O-].[Na+] IC50 = 91100 nM Poor binder T38179 Staphylococcus Beta-lactamase B4CH7A Sodium;(7Z)-3-[[2-(3,4-dihydroxyphenyl)acetyl]oxymethyl]-5,5,8-trioxo-7-(pyridin-2-ylmethylidene)-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Investigative 44381474 C22H17N2NaO9S 508.4 C1C(=C(N2C(S1(=O)=O)/C(=C\\C3=CC=CC=N3)/C2=O)C(=O)[O-])COC(=O)CC4=CC(=C(C=C4)O)O.[Na+] IC50 = 67000 nM Poor binder T38179 Staphylococcus Beta-lactamase B4EY0T Disodium;(2S,3R,6Z)-6-(carboxylatomethylidene)-3-(chloromethyl)-3-methyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Investigative 44303014 C10H8ClNNa2O7S 367.67 C[C@@]1([C@@H](N2C(S1(=O)=O)/C(=C\\C(=O)[O-])/C2=O)C(=O)[O-])CCl.[Na+].[Na+] IC50 = 120500 nM Poor binder T38179 Staphylococcus Beta-lactamase B5TIV1 2-Methylene-3-(acetoxymethyl)-4-(sodiooxycarbonyl)-7-[(Z)-(2-pyridinyl)methylene]cepham-3-ene 1,1-dioxide Investigative 44381211 C17H13N2NaO7S 412.4 CC(=O)OCC1=C(N2[C@@H](/C(=C\\C3=CC=CC=N3)/C2=O)S(=O)(=O)C1=C)C(=O)[O-].[Na+] IC50 = 99200 nM Poor binder T38179 Staphylococcus Beta-lactamase B7GOV6 Sodium;(7Z)-3-[(1E)-buta-1,3-dienyl]-5,5,8-trioxo-7-(pyridin-2-ylmethylidene)-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Investigative 44381487 C17H13N2NaO5S 380.4 C=C/C=C/C1=C(N2C(/C(=C\\C3=CC=CC=N3)/C2=O)S(=O)(=O)C1)C(=O)[O-].[Na+] IC50 = 75000 nM Poor binder T38179 Staphylococcus Beta-lactamase B8P5HB Sodium;(7Z)-5,5,8-trioxo-3-(prop-2-enoyloxymethyl)-7-(pyridin-2-ylmethylidene)-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Investigative 44381476 C17H13N2NaO7S 412.4 C=CC(=O)OCC1=C(N2C(/C(=C\\C3=CC=CC=N3)/C2=O)S(=O)(=O)C1)C(=O)[O-].[Na+] IC50 = 110000 nM Poor binder T38179 Staphylococcus Beta-lactamase B9OR5N Sodium;(7Z)-5,5,8-trioxo-3-[(2-phenoxyacetyl)oxymethyl]-7-(pyridin-2-ylmethylidene)-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Investigative 44381500 C22H17N2NaO8S 492.4 C1C(=C(N2C(S1(=O)=O)/C(=C\\C3=CC=CC=N3)/C2=O)C(=O)[O-])COC(=O)COC4=CC=CC=C4.[Na+] IC50 = 100000 nM Poor binder T38179 Staphylococcus Beta-lactamase B9P6CY 2,3-Dimethyl-4-(sodiooxycarbonyl)-7-[(Z)-(2-pyridinyl)methylene]cepham-3-ene 1,1-dioxide Investigative 44380961 C15H13N2NaO5S 356.3 CC1C(=C(N2[C@H](S1(=O)=O)/C(=C\\C3=CC=CC=N3)/C2=O)C(=O)[O-])C.[Na+] IC50 = 74100 nM Poor binder T38179 Staphylococcus Beta-lactamase BG5N4M 2-Methylene-3-methyl-4-(sodiooxycarbonyl)-7-[(Z)-2-oxo-2-tert-butoxyethylidene]cepham-3-ene 1,1-dioxide Investigative 44381049 C15H16NNaO7S 377.3 CC1=C(N2[C@@H](/C(=C\\C(=O)OC(C)(C)C)/C2=O)S(=O)(=O)C1=C)C(=O)[O-].[Na+] IC50 = 56500 nM Poor binder T38179 Staphylococcus Beta-lactamase BI95TL Disodium;(2S,6Z)-6-(carboxylatomethylidene)-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Investigative 44303048 C10H9NNa2O7S 333.23 CC1([C@@H](N2C(S1(=O)=O)/C(=C\\C(=O)[O-])/C2=O)C(=O)[O-])C.[Na+].[Na+] IC50 = 108000 nM Poor binder T38179 Staphylococcus Beta-lactamase BOW8X3 2-[Bis(methylthio)methylene]-3-methyl-4-(sodiooxycarbonyl)-7-[(Z)-(2-pyridinyl)methylene]cepham-3-ene 1,1-dioxide Investigative 44381342 C17H15N2NaO5S3 446.5 CC1=C(N2[C@@H](/C(=C\\C3=CC=CC=N3)/C2=O)S(=O)(=O)C1=C(SC)SC)C(=O)[O-].[Na+] IC50 = 173000 nM Poor binder T38179 Staphylococcus Beta-lactamase BRUJ39 Sodium;(7Z)-3-[(E)-3-amino-3-oxoprop-1-enyl]-5,5,8-trioxo-7-(thiophen-2-ylmethylidene)-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Investigative 44381781 C15H11N2NaO6S2 402.4 C1C(=C(N2C(S1(=O)=O)/C(=C\\C3=CC=CS3)/C2=O)C(=O)[O-])/C=C/C(=O)N.[Na+] IC50 = 154000 nM Poor binder T38179 Staphylococcus Beta-lactamase BV6TL9 Tazobactam sodium Investigative 23663400 C10H11N4NaO5S 322.28 C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)[O-])CN3C=CN=N3.[Na+] IC50 = 51900 nM Poor binder T38179 Staphylococcus Beta-lactamase BYS9R7 Disodium;(2S,3R,6Z)-6-(carboxylatomethylidene)-3-(formyloxymethyl)-3-methyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Investigative 44303141 C11H9NNa2O9S 377.24 C[C@@]1([C@@H](N2C(S1(=O)=O)/C(=C\\C(=O)[O-])/C2=O)C(=O)[O-])COC=O.[Na+].[Na+] IC50 = 173000 nM Poor binder