Molecule Details
| InChIKey | DAVPSCAAXXVSFU-ALEPSDHESA-N |
|---|---|
| Compound Name | (2S,5R,6R)-6-Bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid |
| Canonical SMILES | CC1(C)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 6.84 |
| Source | BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB20131 |
|---|---|
| Drug Name | Brobactam |
| CAS Number | 26631-90-3 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Brobactam is a small molecule drug. The usage of the INN stem '-bactam' in the name indicates that Brobactam is a ẞ-lactamase inhibitor. Brobactam has a monoisotopic molecular weight of 278.96 Da. |
Categories: Amides Anti-Bacterial Agents Anti-Infective Agents Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Lactams Penicillins Sulfur Compounds beta-Lactamase Inhibitors beta-Lactams
Cross-references: BindingDB: 50212641 CHEMBL73622 ZINC: ZINC000004215065
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00807 | blaZ | Staphylococcus aureus | Pathogen | PF13354 PF08139 | 7.3 | IC50 | BindingDB |
| P25910 | ccrA | Bacteroides fragilis | Pathogen | — | 7.3 | IC50 | BindingDB |
| Q8RT60 | bla OXY | Klebsiella oxytoca | Pathogen | PF13354 | 6.5 | IC50 | BindingDB |
| P13661 | OXA-1 | Escherichia coli | Pathogen | PF00905 | 6.2 | IC50 | BindingDB |