Molecule Details
| InChIKey | ATGQQKQFERAHRD-WXNYECDESA-N |
|---|---|
| Compound Name | (S)-2-{(S)-2-[(S)-2-((S)-2-{(S)-2-[(2-Benzyl-3-phenyl-propionyl)-methyl-amino]-3-methyl-butyrylamino}-3-methyl-butyrylamino)-3-carbamoyl-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](C(C)C)N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(C)C)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.66 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile