Molecule Details
| InChIKey | MRGPBAZYRUEDDT-PTPRNMFZSA-N |
|---|---|
| Compound Name | (2R)-N-[(2S)-5-amino-1-[[(1S)-2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-1-oxopentan-2-yl]-1-[(10S,13R,16R,19R,22R)-13-(2-amino-2-oxoethyl)-19-[(2R)-butan-2-yl]-16-[(1R)-1-hydroxyethyl]-22-(4-hydroxyphenyl)-22-methyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide |
| Canonical SMILES | CC[C@@H](C)[C@H]1NC(=O)[C@@](C)(c2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(N)=O)c2ccc(O)cc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.04 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile