Molecule Details
| InChIKey | WJEXPJGSGBZZOP-JWTYNQANSA-N |
|---|---|
| Compound Name | (4S)-N-{4-[(2S)-2-{[(4R,7S,10S,13R,16S,19S)-19-[(2R)-2-amino-3-(4-chlorophenyl)propanamido]-10-(4-aminobutyl)-16-{[4-(carbamoylamino)phenyl]methyl}-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-2-carbamoylethyl]phenyl}-2,6-dioxo-1,3-diazinane-4-carboxamide |
| Canonical SMILES | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)C(N)=O)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.95 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile