Molecule Details
| InChIKey | GOFBMDJZIXCQGV-UNHORJANSA-N |
|---|---|
| Compound Name | (2S)-N-[(1S,2S,3S,4S)-5-cyclohexyl-1-(cyclohexylmethyl)-2,3-dihydroxy-4-[[(2S)-3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanoyl]amino]pentyl]-3-methyl-2-[[methyl(2-pyridylmethyl)carbamoyl]amino]butanamide |
| Canonical SMILES | CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.07 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9YQ12 | protease | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 8.2 | Ki | ChEMBL |
| 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 | 8.1 | Ki | BindingDB |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 7.9 | Ki | ChEMBL |