Molecule Details
| InChIKey | CUFQBQOBLVLKRF-RZDMPUFOSA-N |
|---|---|
| Compound Name | JE-2147 |
| Canonical SMILES | Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(O)c2C)CSC1(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.38 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02668 |
|---|---|
| Drug Name | JE-2147 |
| CAS Number | 186538-00-1 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Acids, Carbocyclic Amino Acids, Peptides, and Proteins Antiviral Agents HIV Protease Inhibitors Oligopeptides Peptides Sulfur Compounds
Cross-references: BindingDB: 580 CHEMBL300891 ChemSpider: 394090 PDB: JE2 PubChem:446837 PubChem:46505450
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9YQ12 | protease | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 10.5 | Ki | ChEMBL;BindingDB |
| 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 |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 9.5 | Ki | ChEMBL |
| P46925 | PMII | Plasmodium falciparum (isolate HB3) | Pathogen | PF00026 | 7.5 | IC50 | ChEMBL;BindingDB |