Molecule Details
| InChIKey | QORZLVRQZMNLOM-NKQBFHEZSA-N |
|---|---|
| Compound Name | (2S)-2-amino-N-[(3S,9S,14S,20S)-14-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-3,20-dibenzyl-2,5,8,15,18,21-hexaoxo-11,12-dithia-1,4,7,16,19,22-hexazabicyclo[20.2.2]hexacosan-9-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide |
| Canonical SMILES | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.54 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile