Molecule Details
| InChIKey | MMXGPKYYNISCHB-XGJUSQGNSA-N |
|---|---|
| Compound Name | (2R)-2-tert-butyl-N'-(1-ethylpropyl)-N-[(2R,3S)-2-hydroxy-3-[[(2S)-3-methyl-2-(quinoxaline-2-carbonylamino)butanoyl]amino]-4-phenyl-butyl]butanediamide |
| Canonical SMILES | CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)C(C)C)C(C)(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.66 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| 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 | 8.7 | IC50 | BindingDB |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 8.7 | IC50 | ChEMBL |