Molecule Details
| InChIKey | QPEXKJZILBODNL-NGXTUNLOSA-N |
|---|---|
| Compound Name | Methyl N-[(1S)-1-[[[(2S)-2-benzyl-2-hydroxy-3-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-3-oxo-propyl]-[[4-(3-pyridyl)phenyl]methyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate |
| Canonical SMILES | COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2cccnc2)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.3 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| 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 | 8.3 | Ki | BindingDB |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 8.3 | Ki | ChEMBL |
| Q9YQ12 | protease | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 8.3 | Ki | ChEMBL;BindingDB |