Molecule Details
| InChIKey | MEWAZRJLRMEJDV-FWGCVNADSA-N |
|---|---|
| Compound Name | [1-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propyl]triazol-4-yl]methyl N-[(1S,2R)-2-hydroxyindan-1-yl]carbamate |
| Canonical SMILES | COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)n2cc(COC(=O)N[C@H]3c4ccccc4C[C@H]3O)nn2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.14 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 8.5 | IC50 | ChEMBL |
| Q9YQ12 | protease | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 8.2 | IC50 | ChEMBL;BindingDB |
| 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 | 7.7 | IC50 | BindingDB |