Molecule Details
| InChIKey | VZXZQIBVXSJQPK-ZOBUZTSGSA-N |
|---|---|
| Compound Name | (S)-3-[(S)-2-((S)-2-tert-Butoxycarbonylamino-2-cyclopentyl-acetylamino)-4-methyl-pentanoylamino]-5,5-difluoro-2-oxo-pentanoic acid |
| Canonical SMILES | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCC1)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.42 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| A3EZI9 | NS3 | Hepacivirus hominis | Pathogen | PF07652 PF22027 PF02907 | 6.4 | IC50 | ChEMBL;BindingDB |
| D2K2A8 | NS4A | Hepacivirus hominis | Pathogen | PF01006 | 6.4 | IC50 | ChEMBL |
| P26664 | Hepatitis C virus genotype 1a (isolate 1) | Pathogen | PF07652 PF01543 PF01542 PF01539 PF01560 PF01538 PF01006 PF01001 PF01506 PF08300 PF08301 PF12941 PF22027 PF02907 PF00998 | 6.4 | IC50 | ChEMBL;BindingDB |