Molecule Details
| InChIKey | JZOIPLRHDZPXJN-BUCZBDGVSA-N |
|---|---|
| Compound Name | phenyl (E,3S)-3-[[2-[[(3,5-difluorobenzoyl)amino]methyl]benzoyl]amino]-5-phenylpent-1-ene-1-sulfonate |
| Canonical SMILES | O=C(NCc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)Oc1ccccc1)CCc1ccccc1)c1cc(F)cc(F)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.73 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 6.2 | Ki | ChEMBL;BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 6.1 | Ki | ChEMBL;BindingDB |
| Q95PM0 | rhodesain | Trypanosoma brucei rhodesiense | Pathogen | PF12131 PF08246 PF00112 | 7.8 | Ki | ChEMBL;BindingDB |