Molecule Details
| InChIKey | UOHMQWQGAJAUGT-JQFCFGFHSA-N |
|---|---|
| Compound Name | N1,N6-Di[(1S)-indanyl-(2R)-hydroxy]-(2R,3R,4R,5R)-2,5-di(benzyloxy)-3,4-dihydroxyhexanediamide |
| Canonical SMILES | O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.22 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P12497 | gag-pol | Human immunodeficiency virus type 1 group M subtype B (isolate NY5) | Pathogen | PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 | 9.2 | Ki | BindingDB |
| Q9YQ12 | protease | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 9.0 | Kd | ChEMBL;BindingDB |
| P39898 | PMI | Plasmodium falciparum (isolate HB3) | Pathogen | PF00026 | 7.6 | Ki | ChEMBL;BindingDB |
| P46925 | PMII | Plasmodium falciparum (isolate HB3) | Pathogen | PF00026 | 7.1 | Ki | ChEMBL;BindingDB |