Molecule Details
| InChIKey | JKJKHYOUTNOITO-KEJHGIAHSA-N |
|---|---|
| Compound Name | (3S)-3-[[(3S)-3-[[2-[(2S)-1-[2-[(2S)-1-[(4R,10R,13S,16S,19S,22R,25S)-25-acetyl-22-(2-carboxyethyl)-13-[3-(diaminomethylideneamino)propyl]-19-(1H-imidazol-4-ylmethyl)-10-(1H-indol-3-ylmethyl)-16-(naphthalen-2-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carbonyl]pyrrolidin-2-yl]-2-oxoethyl]pyrrolidin-2-yl]-2-oxoethyl]amino]-7-amino-2-oxoheptyl]amino]-4-amino-4-oxobutanoic acid |
| Canonical SMILES | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.7 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile