Molecule Details
| InChIKey | IXHSGRWAMNNNRD-RNATXAOGSA-N |
|---|---|
| Compound Name | (4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis[(3-pivaloylphenyl)methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one |
| Canonical SMILES | CC(C)(C)C(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)C(C)(C)C)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.44 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (2)
| 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 | 8.4 | Ki | BindingDB |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 8.4 | Ki | ChEMBL |