Molecule Details
| InChIKey | BNECOBGISSOLPT-FCHUYYIVSA-N |
|---|---|
| Compound Name | (S)-3-Biphenyl-4-yl-2-((R)-2-mercapto-3-phenyl-propionylamino)-propionic acid |
| Canonical SMILES | O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)[C@H](S)Cc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.96 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08473 | MME | Homo sapiens | Human | PF01431 PF05649 | 8.9 | Ki | ChEMBL;BindingDB |
| P15085 | CPA1 | Homo sapiens | Human | PF00246 PF02244 | 6.5 | Ki | ChEMBL;BindingDB |
| P12821 | ACE | Homo sapiens | Human | PF01401 | 6.3 | Ki | ChEMBL;BindingDB |
| Q9BYF1 | ACE2 | Homo sapiens | Human | PF16959 PF01401 | 6.2 | IC50 | ChEMBL;BindingDB |