| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 15 | No |
Popular Name: Sulbactam Sulbactam
Find On: PubMed — Wikipedia — Google
CAS Numbers: 68373-14-8 , 69388-84-7 , [68373-14-8] , [69388-84-7]
(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-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
(2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide
3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide
3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide
68373-14-8; D08533; Sulbactam (INN)
69388-84-7; D02223; SBT; Sulbactam sodium (JP16/USP)
CP-45899; CP-458992; CP-45899-2; CP-45899-99
INN); Sulbactam Benzathine (USAN)
Sulbactam Sodium, Antibiotic for Culture Media Use Only
Sulbactam;Penicillanic acid sulfone
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -2.38 | -0.6 | -51.76 | 0 | 6 | -1 | 95 | 232.237 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 3.65 | 6.84 | -38.29 | 3 | 3 | 1 | 46 | 292.443 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | Beta-Lactamase inhibitor | ZereneX Building Blocks |
| MP | 156°(dec.) | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | 99% | APIChem |
| UniProt Database Links | AMPC_CITFR | ChEBI |
| Indications | antibacterial | KeyOrganics Bioactives |
| biological_use | Antibiotic | IBScreen Bioactives IBScreen Bioactives |
| Target | Antifection | Selleck Chemicals |
| Therapy | b-lactamase inhibitor | SMDC Pharmakon |
| mechanism | Beta-Lactamase inhibitor | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Has only weak antibacterial activity except against Neisseria gonorrhoeae | IBScreen Bioactives |
| mechanism | II | IBScreen Bioactives |
| mechanism | III | IBScreen Bioactives |
| mechanism | Inhibits beta-lactamases of the Richmond-Sykes types I | IBScreen Bioactives |
| mechanism | IV | IBScreen Bioactives |
| biological_use | Neisseria meningitidis | IBScreen Bioactives |
| Target | Others | Selleck Chemicals |
| mechanism | V | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A1E3K9-1-B | Beta-lactamase SCO-1 (cluster #1 Of 1), Bacterial | Bacteria | 6200 | 0.49 | Binding ≤ 10μM |
| A8RR46-1-B | Beta-lactamase (cluster #1 Of 1), Bacterial | Bacteria | 75 | 0.66 | Binding ≤ 10μM |
| AMPC-5-B | Beta-lactamase (cluster #5 Of 6), Bacterial | Bacteria | 1400 | 0.55 | Binding ≤ 10μM |
| BLAC-1-B | Beta-lactamase (cluster #1 Of 1), Bacterial | Bacteria | 6500 | 0.48 | Binding ≤ 10μM |
| BLAT-3-B | Beta-lactamase TEM (cluster #3 Of 4), Bacterial | Bacteria | 800 | 0.57 | Binding ≤ 10μM |
| D1MIX9-1-B | Beta-lactamase GES-13 (cluster #1 Of 1), Bacterial | Bacteria | 370 | 0.60 | Binding ≤ 10μM |
| D5HSX5-1-B | Extended-spectrum Beta-lactamase PER-6 (cluster #1 Of 1), Bacterial | Bacteria | 4000 | 0.50 | Binding ≤ 10μM |
| Q0VTR6-1-B | ADC-14 Protein (cluster #1 Of 1), Bacterial | Bacteria | 1120 | 0.56 | Binding ≤ 10μM |
| Q0VTR8-1-B | ADC-16 Protein (cluster #1 Of 1), Bacterial | Bacteria | 7758 | 0.48 | Binding ≤ 10μM |
| Q7X575-1-B | Beta-lactamase SHV-11 (cluster #1 Of 1), Bacterial | Bacteria | 2400 | 0.52 | Binding ≤ 10μM |
| Z50185-1-O | Staphylococcus Aureus (cluster #1 Of 1), Other | Other | 6800 | 0.48 | Binding ≤ 10μM |
| Z50212-1-O | Escherichia Coli (cluster #1 Of 1), Other | Other | 1900 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AMPC_ENTCL | P05364 | Beta-lactamase, Entcl | 1000 | 0.56 | Binding ≤ 1μM |
| A8RR46_BACCS | A8RR46 | Beta-lactamase, Baccs | 75 | 0.66 | Binding ≤ 1μM |
| D1MIX9_PSEAI | D1MIX9 | Beta-lactamase GES-13, Pseai | 370 | 0.60 | Binding ≤ 1μM |
| BLAT_ECOLX | P62593 | Beta-lactamase TEM, Ecolx | 800 | 0.57 | Binding ≤ 1μM |
| Q0VTR6_ACIG3 | Q0VTR6 | ADC-14 Protein, Acig3 | 1120 | 0.56 | Binding ≤ 10μM |
| Q0VTR8_ACIG3 | Q0VTR8 | ADC-16 Protein, Acig3 | 7758 | 0.48 | Binding ≤ 10μM |
| AMPC_ENTCL | P05364 | Beta-lactamase, Entcl | 1000 | 0.56 | Binding ≤ 10μM |
| BLAC_STAAU | P00807 | Beta-lactamase, Staau | 6500 | 0.48 | Binding ≤ 10μM |
| A8RR46_BACCS | A8RR46 | Beta-lactamase, Baccs | 75 | 0.66 | Binding ≤ 10μM |
| D1MIX9_PSEAI | D1MIX9 | Beta-lactamase GES-13, Pseai | 370 | 0.60 | Binding ≤ 10μM |
| A1E3K9_ECOLX | A1E3K9 | Beta-lactamase SCO-1, Ecolx | 6200 | 0.49 | Binding ≤ 10μM |
| Q7X575_ECOLX | Q7X575 | Beta-lactamase SHV-11, Ecolx | 2400 | 0.52 | Binding ≤ 10μM |
| BLAT_ECOLX | P62593 | Beta-lactamase TEM, Ecolx | 10000 | 0.47 | Binding ≤ 10μM |
| Z50212 | Z50212 | Escherichia Coli | 1900 | 0.53 | Binding ≤ 10μM |
| D5HSX5_9GAMM | D5HSX5 | Extended-spectrum Beta-lactamase PER-6, 9gamm | 4000 | 0.50 | Binding ≤ 10μM |
| Z50185 | Z50185 | Staphylococcus Aureus | 6800 | 0.48 | Binding ≤ 10μM |
