Molecule Details
| InChIKey | YUGCTVUDIHCBJW-WJCYFCHTSA-P |
|---|---|
| Compound Name | 4-[(4R,7S,10S,13R,16S)-19-(2-azaniumyl-3-phenylpropanamido)-4-{[(1S)-1-carboxy-2-hydroxypropyl]carbamoyl}-16-[(4-hydroxy-3-iodophenyl)methyl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-10-yl]butan-1-aminium |
| Canonical SMILES | CC(O)[C@H](NC(=O)[C@@H]1CSSCC(NC(=O)C([NH3+])Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)c(I)c2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(C)O)C(=O)N1)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.46 |
| Source | BindingDB |
2D Structure
Activity Profile