Molecule Details
| InChIKey | KSLQUEKUGQKSAJ-ICCXJUOJSA-N |
|---|---|
| Compound Name | (2S)-3-(4-hydroxyphenyl)-2-[(2S,3R)-3-methyl-2-sulfanylpentanamido]propanoic acid |
| Canonical SMILES | CC[C@@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.22 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9BYF1 | ACE2 | Homo sapiens | Human | PF16959 PF01401 | 8.9 | Ki | ChEMBL |
| P08473 | MME | Homo sapiens | Human | PF01431 PF05649 | 7.1 | Ki | ChEMBL;BindingDB |
| P15085 | CPA1 | Homo sapiens | Human | PF00246 PF02244 | 6.5 | Ki | ChEMBL;BindingDB |
| P12821 | ACE | Homo sapiens | Human | PF01401 | 6.4 | Ki | ChEMBL |