Molecule Details
| InChIKey | NTNSGKOURZQJSK-OYHLQXKGSA-N |
|---|---|
| Compound Name | (E)-N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enamide |
| Canonical SMILES | COc1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(N)cc2)cc(OC)c1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.83 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q72547 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00075 PF00078 PF06815 PF06817 | 8.8 | IC50 | ChEMBL;BindingDB |
| P04585 | gag-pol | Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) | Pathogen | PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 | 6.8 | IC50 | BindingDB |