Molecule Details
| InChIKey | VVRYKLAVRKNGHY-VUBFVVBWSA-N |
|---|---|
| Compound Name | (2S,5R,8S,11S,14S,16Z,19S)-19-[(2R)-2-amino-3-phenylpropanamido]-8-(4-aminobutyl)-2,11-dibenzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-(1H-indol-3-ylmethyl)-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentaazacycloicos-16-ene-14-carboxamide |
| Canonical SMILES | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C\C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.52 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile