Molecule Details
| InChIKey | QDJWMEGFGPTSBD-FYBVGQRMSA-N |
|---|---|
| Compound Name | (2S,3R,5R)-3-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
| Canonical SMILES | Cn1cnnc1SC[C@@]1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 6.39 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q8RT60 | bla OXY | Klebsiella oxytoca | Pathogen | PF13354 | 6.6 | IC50 | BindingDB |
| P13661 | OXA-1 | Escherichia coli | Pathogen | PF00905 | 6.4 | IC50 | BindingDB |
| P00807 | blaZ | Staphylococcus aureus | Pathogen | PF13354 PF08139 | 6.3 | IC50 | BindingDB |
| P25910 | ccrA | Bacteroides fragilis | Pathogen | — | 6.1 | IC50 | BindingDB |