Molecule Details
| InChIKey | BQLNGOOIPWHQIF-YHMJZVADSA-N |
|---|---|
| Compound Name | US11207312, Example 20 |
| Canonical SMILES | NC[C@@H](O)CNS(=O)(=O)c1ccc(N2CCOC(CO)C2)c(-c2nn[nH]n2)c1S(N)(=O)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.21 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q5GN09 | vim-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 9.6 | IC50 | BindingDB |
| Q3Y6Q3 | blaVIM-2 | Klebsiella pneumoniae | Pathogen | PF00753 | 9.3 | IC50 | BindingDB |
| C7C422 | blaNDM-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 9.1 | IC50 | ChEMBL;BindingDB |
| Q79MP6 | blaIMP-1 | Pseudomonas aeruginosa | Pathogen | PF00753 | 8.8 | IC50 | ChEMBL;BindingDB |