Molecule Details
| InChIKey | GRMCSCYPDCPNRA-TZRRMPRUSA-N |
|---|---|
| Compound Name | (2s)-3-[(R)-{(1r)-1-[(N-Acetyl-L-Leucyl)amino]-2-Phenylethyl}(Hydroxy)phosphoryl]-2-Benzylpropanoic Acid |
| Canonical SMILES | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.68 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P15085 | CPA1 | Homo sapiens | Human | PF00246 PF02244 | 10.4 | Ki | ChEMBL;BindingDB |
| P15086 | CPB1 | Homo sapiens | Human | PF00246 PF02244 | 9.9 | Ki | ChEMBL;BindingDB |
| Q9UI42 | CPA4 | Homo sapiens | Human | PF00246 PF02244 | 9.4 | Ki | ChEMBL;BindingDB |
| P48052 | CPA2 | Homo sapiens | Human | PF00246 PF02244 | 9.0 | Ki | ChEMBL;BindingDB |