Molecule Details
| InChIKey | SQBOSZXDOHQFAA-ZRTHHSRSSA-N |
|---|---|
| Canonical SMILES | O=C1N(Cc2ccccc2)[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.71 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01732 |
|---|---|
| Drug Name | (4R,5S,6S,7R)-1,3-dibenzyl-4,7-bis(phenoxymethyl)-5,6-dihydroxy-1,3 diazepan-2-one |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 1157 CHEMBL171148 ChemSpider: 392264 PDB: AH1 PubChem:444290 PubChem:46509092 ZINC: ZINC000003833861
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 7.9 | Ki | ChEMBL |
| 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 | 7.5 | IC50 | BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P03366 | gag-pol | Gag-Pol polyprotein | binder | targets |