Molecule Details
| InChIKey | YHCLLRXKMQSION-NSHDSACASA-N |
|---|---|
| Compound Name | 1-N-(2-aminoethyl)-4-[2-[(1R)-1-amino-2-hydroxyethyl]-1H-benzimidazol-4-yl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide |
| Canonical SMILES | NCCNS(=O)(=O)c1ccc(-c2cccc3[nH]c([C@@H](N)CO)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.44 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q2QC95 | blaoxa-10 | Klebsiella pneumoniae | Pathogen | PF00905 | 9.7 | IC50 | BindingDB |
| Q5GN09 | vim-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 9.7 | IC50 | BindingDB |
| C7C422 | blaNDM-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 9.6 | IC50 | ChEMBL;BindingDB |
| P52699 | Serratia marcescens | Pathogen | PF00753 | 8.6 | IC50 | BindingDB |