Molecule Details
| InChIKey | GNJDFMNCMAQPGN-QXIHQKPUSA-N |
|---|---|
| Compound Name | (5s)-3-(3-Acetylphenyl)-N-[(1s,2r)-3-[(1,3-Benzodioxol-5-Ylsulfonyl)(2-Methylpropyl)amino]-2-Hydroxy-1-(Phenylmethyl)propyl]-2-Oxo-5-Oxazolidinecarboxamide |
| Canonical SMILES | CC(=O)c1cccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)OC2=O)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.92 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9YQ12 | protease | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 11.2 | Ki | BindingDB |
| P03369 | gag-pol | Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2) | Pathogen | PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 | 9.4 | Ki | BindingDB |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 9.1 | Ki | ChEMBL |