Molecule Details
| InChIKey | WFNUMGIYRMVXGR-QZOMBGJZSA-N |
|---|---|
| Compound Name | (S)-C16-(1,1-dioxidoisothiazolidin-2-yl)-C32-deoxo-rapamycin |
| Canonical SMILES | C=C1[C@H](C)C[C@H](C)/C=C\C=C/C=C(/C)C(N2CCCS2(=O)=O)C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC[C@H](C)/C=C(/C)[C@@H](O)[C@H]1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.68 |
| Source | BindingDB |
2D Structure
Activity Profile