Molecule Details
| InChIKey | YCGSZLSXWAEOFI-QHFKPGMVSA-N |
|---|---|
| Compound Name | (4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-19-((R)-2-amino-3-phenylpropanamido)-7,16-dibenzyl-10-(4-((isopropylamino)methyl)benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide |
| Canonical SMILES | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](N)Cc3ccccc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.2 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile