Molecule Details
| InChIKey | DPFMPSWJJIWBOL-GSDHBNRESA-N |
|---|---|
| Compound Name | [(1R)-1-[[(2S)-2-[[(2S)-4-(2,2-dimethylpropylamino)-2-[(4-methylphenyl)sulfonylamino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid |
| Canonical SMILES | Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)B(O)O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.43 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28062 | PSMB8 | Homo sapiens | Human | PF00227 | 8.3 | IC50 | ChEMBL;BindingDB |
| P28074 | PSMB5 | Homo sapiens | Human | PF00227 | 8.1 | IC50 | ChEMBL;BindingDB |
| P28065 | PSMB9 | Homo sapiens | Human | PF00227 | 7.5 | IC50 | ChEMBL;BindingDB |
| P40306 | PSMB10 | Homo sapiens | Human | PF12465 PF00227 | 6.9 | IC50 | ChEMBL;BindingDB |
| P49721 | PSMB2 | Homo sapiens | Human | PF00227 | 6.4 | IC50 | ChEMBL;BindingDB |