Molecule Details
| InChIKey | OCRLCDWARWMSOX-CXQVSNLXSA-N |
|---|---|
| Compound Name | (4R,7S,10R,13S,16S,19S,22R,25S)-13-(4-aminobutyl)-7,22-dibenzyl-25-[[(2R)-2-(carbamoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-19-[2-methyl-1-[4-(methylamino)phenyl]propyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid |
| Canonical SMILES | CNc1ccc(C(C(C)C)[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.51 |
| Source | BindingDB |
2D Structure
Activity Profile