Ligand
Ligand Name:   SULBACTAM
Ligand Type:   non-polymer
Ligand ID:   COVPDB1398 PubChem:   130313
Synonym(s):  
  •   68373-14-8
  • sulbactam acid
  • betamaze
  • penicillanic acid sulfone
  • (2s,5r)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide
  • sulbactamum
  • penicillanic acid 1,1-dioxide
  • unii-s4tf6i2330
  • (2s,5r)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4,4-dioxide
  • cp 45899
  • mfcd00867005
  • chembl403
  • cp-45899
  • cp-45,899
  • chebi:9321
  • s4tf6i2330
  • sulbactam;penicillanic acid sulfone
  • 68373-14-8 (free acid)
  • dsstox_cid_3605
  • (2s,5r)-3,3-dimethyl-4,4,7-trioxo-4
  • l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r)-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • dsstox_rid_77104
  • dsstox_gsid_23605
  • 2,2-dimethyl-1,1-dioxidopenam-3alpha-carboxylic acid
  • smr000387064
  • sulbactam free acid
  • cas-68373-14-8
  • sulbactam [inn:ban]
  • sr-01000760610
  • penicillanic acid dioxide
  • sulbactamum [inn-latin]
  • sulbactam,(s)
  • sulbactam (inn)
  • (2s,5r)-3,3-dimethyl-4,4,7-trioxo-4?^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • einecs 269-878-2
  • 69388-84-7
  • ncgc00159487-06
  • sulbactam; sulbactam acid
  • schembl47781
  • mls001048859
  • mls001304017
  • penicillanic acid s,s-dioxide
  • sodium 1,1-dioxypenicillanate
  • dtxsid1023605
  • gtpl10769
  • hms2090e07
  • hms2269a12
  • hms3651c06
  • hms3715b09
  • zinc897244
  • 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-, 4,4-dioxide, (2s,5r)-
  • bcp13271
  • ex-a2000
  • hy-b0334
  • tox21_113642
  • anw-43630
  • bbl033518
  • bdbm50021954
  • s1958
  • stk801889
  • akos004119988
  • tox21_113642_1
  • ccg-221124
  • db09324
  • ks-5198
  • mcule-8384465258
  • (2s,5r)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure 4,4-dioxid
  • sulbactam, analytical reference material
  • ncgc00159336-02
  • ncgc00159336-03
  • ncgc00159336-05
  • sulbactam 100 microg/ml in acetonitrile
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, 4,4-dioxide, (2s-cis)-
  • ac-18973
  • ab0014047
  • s0868
  • a-2179
  • c07770
  • d08533
  • ab00698109-06
  • ab00698109-08
  • ab00698109_09
  • 373s148
  • a836122
  • q423393
  • sr-01000760610-2
  • sr-01000760610-3
  • brd-k44133266-001-10-0
  • z1563146038
  • sulbactam, european pharmacopoeia (ep) reference standard
  • sulbactam, united states pharmacopeia (usp) reference standard
  • (2s,5r)-2-carboxylato-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane4,4-dioxide
  • (2s,5r)-3,3-dimethyl-4,4,7-trioxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
  • sulbactam for peak identification, european pharmacopoeia (ep) reference standard
  • ((2s-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3,2,0]heptane-2-carboxylic acid 4,4-dioxide )
  • (2s,5r)-3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r)-3,3-dimethyl-4,4,7-tris(oxidanylidene)-4
  • (2s,5r)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo-[3.2.0]heptane-2-carboxylic acid 4,4-dioxide
  • (2s,5r)?-?3,3-?dimethyl-?7-?oxo-?4-?thia-?1-?azabicyclo[3.2.0]?heptane-?2-?carboxylic acid 4,4-dioxide
  • (s)-3,3-dimethyl-7-(r)-oxo-4,4-dioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
  • 0rn
  • 3,3-dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid (sulbactam)
  • 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-,4,4-dioxide, (2s, cis)
show 104 synonym(s)
DrugBank:   DB09324 ChEMBL:   CHEMBL403
Canonical SMILES:   CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Standard InChI:   InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
Molecular Formula:   C8H11NO5S Mol. Weight:   233.0358 logP:   -0.795
HBD:   1 HBA:   4
#Rotatable Bonds:   1 TPSA:   91.75

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase SHV-1 P0AD64 (BLA1_KLEPN) Klebsiella pneumoniae 2A3U TSL
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SHOW
Beta-lactamase C8CP57 (C8CP57_ECOLX) Escherichia coli 6J2B TSL
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SHOW
Beta-lactamase A0A655AHQ9 (A0A655AHQ9_MYCTX) Mycobacterium tuberculosis 6H2K TSL
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SHOW
Beta-lactamase C8CP57 (C8CP57_ECOLX) Escherichia coli 6ITY TSL
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SHOW