Molecule Details
| InChIKey | PQOWYSIMYNJTLG-NEKODSHDSA-N |
|---|---|
| Compound Name | (S)-2-[(S)-2-((S)-3-Carbamoyl-2-{(S)-3-methyl-2-[(S)-3-methyl-2-((R)-2-methyl-3-phenyl-propionylamino)-butyrylamino]-butyrylamino}-propionylamino)-3-carboxy-propionylamino]-4-methyl-pentanoic acid |
| Canonical SMILES | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)Cc1ccccc1)C(C)C)C(C)C)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.07 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile