Molecule Details
| InChIKey | LTLYEAJONXGNFG-HBNTYKKESA-N |
|---|---|
| Compound Name | L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatine |
| Canonical SMILES | CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)O)C(=O)NCCCCN=C(N)N |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.99 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 8.3 | IC50 | BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 7.9 | IC50 | BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 7.7 | IC50 | BindingDB |
| Q95PM0 | rhodesain | Trypanosoma brucei rhodesiense | Pathogen | PF12131 PF08246 PF00112 | 8.4 | IC50 | ChEMBL |
| P25779 | Trypanosoma cruzi | Pathogen | PF12131 PF08246 PF00112 | 7.5 | IC50 | ChEMBL |