Molecule Details
| InChIKey | DPHACENAZHGWHS-JRZJBTRGSA-N |
|---|---|
| Compound Name | 3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-5-fluoro-4-oxo-pentanoic acid methyl ester |
| Canonical SMILES | COC(=O)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)CF |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.44 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07384 | CAPN1 | Homo sapiens | Human | PF01067 PF13833 PF00648 | 6.9 | IC50 | ChEMBL;BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 6.5 | IC50 | ChEMBL;BindingDB |
| P29466 | CASP1 | Homo sapiens | Human | PF00619 PF00656 | 6.0 | IC50 | ChEMBL;BindingDB |
| P0C6X7 | rep | Severe acute respiratory syndrome coronavirus | Pathogen | PF13087 PF16251 PF11501 PF12379 PF12124 PF11633 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF05409 PF00680 | 6.3 | Ki | BindingDB |