Molecule Details
| InChIKey | HCQRRPYERGCDMA-QUSNUVHPSA-N |
|---|---|
| Compound Name | prop-2-enyl (2S)-2-[[(2S)-2-[[(2R,3S)-3-[(2S)-butan-2-yl]-4-oxooxetane-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate |
| Canonical SMILES | C=CCOC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1OC(=O)[C@H]1[C@@H](C)CC)C(C)C)C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.91 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28074 | PSMB5 | Homo sapiens | Human | PF00227 | 8.0 | IC50 | ChEMBL;BindingDB |
| P28062 | PSMB8 | Homo sapiens | Human | PF00227 | 7.4 | IC50 | ChEMBL;BindingDB |
| O43148 | RNMT | Homo sapiens | Human | PF03291 | 6.1 | IC50 | BindingDB |
| P38624 | PRE3 | Saccharomyces cerevisiae (strain ATCC 204508 / S288c) | Pathogen | PF00227 | 6.1 | IC50 | ChEMBL |