Molecule Details
| InChIKey | VVZPRTIRPLMIAE-RQBKSZSXSA-N |
|---|---|
| Compound Name | (2S)-2-amino-N-[(3S,9R,14R,20S)-14-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3,20-dibenzyl-10,10,13,13-tetramethyl-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-hydroxyphenyl)propanamide |
| Canonical SMILES | CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.5 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile