Molecule Details
| InChIKey | IBSSBUWAVGFIIX-TWLAMCEISA-M |
|---|---|
| Compound Name | (5R),(6Z)-6-(5,5-dioxo-4,5,6,7-tetrahydro-5''6-pyrazolo[5,1-c][1,4]thiazin-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid sodium salt |
| Canonical SMILES | O=C([O-])C1=CS[C@@H]2/C(=C\c3cc4n(n3)CCS(=O)(=O)C4)C(=O)N12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 8.08 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P62593 | bla | Escherichia coli | Pathogen | PF13354 | 9.0 | IC50 | ChEMBL;BindingDB |
| P05364 | ampC | Enterobacter cloacae | Pathogen | PF00144 | 8.7 | IC50 | ChEMBL;BindingDB |
| P25910 | ccrA | Bacteroides fragilis | Pathogen | — | 7.4 | IC50 | ChEMBL;BindingDB |
| P52663 | nmcA | Enterobacter cloacae | Pathogen | PF13354 | 7.2 | IC50 | ChEMBL;BindingDB |