Molecule Details
| InChIKey | BJBDOOZTEPGOJP-TVKKRMFBSA-N |
|---|---|
| Compound Name | N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-methyl-2-(2-sulfanylacetyl)pentanamide |
| Canonical SMILES | CNC(=O)[C@@H](NC(=O)C(CC(C)C)C(=O)CS)C(C)(C)C |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.65 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.2 | IC50 | ChEMBL;BindingDB |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q9ULZ9 | MMP17 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.8 | pIC50 | TTD_MultiTarget |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.3 | IC50 | ChEMBL;BindingDB |
| P18843 | nadE | Escherichia coli (strain K12) | Pathogen | PF02540 | 8.0 | pIC50 | TTD_MultiTarget |