Molecule Details
| InChIKey | VHNVOAVIDBRLFO-HMTLIYDFSA-N |
|---|---|
| Compound Name | N-[1-[[(3S)-1-diazo-2-oxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-(4-iodophenyl)benzamide |
| Canonical SMILES | CCC[C@H](NC(=O)C(CC(C)C)NC(=O)c1ccc(-c2ccc(I)cc2)cc1)C(=O)[CH-][N+]#N |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.4 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 8.1 | IC50 | BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 8.0 | IC50 | BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 7.2 | IC50 | BindingDB |
| P53634 | CTSC | Homo sapiens | Human | PF08773 PF00112 | 6.3 | IC50 | BindingDB |