Molecule Details
| InChIKey | VNYOJACRBDECNH-QMJGUQGKSA-N |
|---|---|
| Compound Name | {(S)-3-[(S)-3-Cyclohexyl-2-((2S,3S)-3-methyl-2-{(S)-4-methyl-2-[(pyrazine-2-carbonyl)-amino]-pentanoylamino}-pentanoylamino)-propionylamino]-5,5-difluoro-2-oxo-pentanoylamino}-acetic acid |
| Canonical SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)NCC(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.22 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| A3EZI9 | NS3 | Hepacivirus hominis | Pathogen | PF07652 PF22027 PF02907 | 7.2 | IC50 | BindingDB |
| P26664 | Hepatitis C virus genotype 1a (isolate 1) | Pathogen | PF07652 PF01543 PF01542 PF01539 PF01560 PF01538 PF01006 PF01001 PF01506 PF08300 PF08301 PF12941 PF22027 PF02907 PF00998 | 7.2 | IC50 | ChEMBL;BindingDB |