Molecule Details
| InChIKey | FMEJXWSFZAAYQP-REPUODOGSA-N |
|---|---|
| Compound Name | tert-butyl (E)-3-[1-[2-[[(1R)-5-amino-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pentyl]amino]-2-oxoethyl]-5-benzyl-1,2,4-triazol-3-yl]prop-2-enoate |
| Canonical SMILES | CC(C)(C)OC(=O)/C=C/c1nc(Cc2ccccc2)n(CC(=O)N[C@@H](CCCCN)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.34 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile