Molecule Details
| InChIKey | HCBQCTAFMHAHIT-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-Amino-3-cyanophenylboronicacid |
| Canonical SMILES | N#Cc1cccc(B(O)O)c1N |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 10.05 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| C7C422 | blaNDM-1 | Klebsiella pneumoniae | Pathogen | PF00753 | 10.5 | IC50 | ChEMBL;BindingDB |
| Q2QC95 | blaoxa-10 | Klebsiella pneumoniae | Pathogen | PF00905 | 10.3 | IC50 | BindingDB |
| Q9XAY4 | blaVIM | Pseudomonas aeruginosa | Pathogen | PF00753 | 9.8 | IC50 | BindingDB |
| P52699 | Serratia marcescens | Pathogen | PF00753 | 9.6 | IC50 | BindingDB |