Molecule Details
| InChIKey | RPIALZPTIFOQGC-CXLNPQPMSA-N |
|---|---|
| Compound Name | Grl-02031 |
| Canonical SMILES | COc1ccc(S(=O)(=O)N(C[C@H]2CCC(=O)N2)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.5 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P03367 | gag-pol | Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI) | Pathogen | PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 | 10.0 | Ki | BindingDB |
| Q9YQ12 | protease | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 9.4 | Ki | ChEMBL;BindingDB |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 9.1 | Ki | ChEMBL |