Molecule Details
| InChIKey | BOBPCRWLCOIPEO-LMLVUDSVSA-N |
|---|---|
| Compound Name | (7R,10S,13R,16S,19R,28R)-28-amino-13-(4-aminobutyl)-22-benzoyl-7,19-dibenzyl-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-24-methyl-6,9,12,15,18,21,23,27-octaoxo-1,2-dithia-5,8,11,14,17,20,22,24,26-nonaazacyclononacosan-25-olate |
| Canonical SMILES | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)N(C(=O)c2ccccc2)C(=O)N(C)C([O-])NC(=O)[C@@H](N)CSSCCNC(=O)[C@@H](Cc2ccccc2)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.82 |
| Source | BindingDB |
2D Structure
Activity Profile