Molecule Details
| InChIKey | XGOULJOKRIZKRT-UWDVWBIHSA-N |
|---|---|
| Compound Name | benzyl N-[(1S)-1-({1-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanoyl]-3-oxopiperidin-4-yl}carbamoyl)-3-methylbutyl]carbamate |
| Canonical SMILES | CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)CC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.71 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 8.6 | Ki | ChEMBL;BindingDB |
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 8.1 | Ki | ChEMBL;BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 7.8 | Ki | ChEMBL;BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 6.4 | Ki | ChEMBL;BindingDB |