Molecule Details
| InChIKey | XLHWFEHWWUCKOL-WFYGCLDHSA-N |
|---|---|
| Compound Name | (6R,7R)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-nitrosoacetyl]amino]-8-oxo-3-[[2-oxo-1-[(3R)-pyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Canonical SMILES | Nc1nc(C(N=O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(C=C4CCN([C@@H]5CCNC5)C4=O)CS[C@H]23)ns1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.58 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q5D1F0 | Staphylococcus aureus | Pathogen | PF03717 PF00905 | 7.0 | IC50 | BindingDB | |
| P0A3M5 | penA | Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | Pathogen | PF03717 PF00905 | 7.0 | IC50 | BindingDB |
| Q51504 | pbpB | Pseudomonas aeruginosa | Pathogen | PF03717 PF00905 | 6.7 | IC50 | BindingDB |
| Q53725 | pbpA | Staphylococcus aureus | Pathogen | PF03793 PF03717 PF00905 | 6.7 | IC50 | BindingDB |
| Q53729 | pbp2 | Staphylococcus aureus | Pathogen | PF00912 PF00905 | 6.0 | IC50 | BindingDB |
| Q9X6W0 | ponB | Pseudomonas aeruginosa | Pathogen | PF00912 PF00905 PF14814 | 6.0 | IC50 | BindingDB |