Molecule Details
| InChIKey | FMYKJLXRRQTBOR-BZSNNMDCSA-N |
|---|---|
| Compound Name | Acetylleucyl-leucyl-norleucinal |
| Canonical SMILES | CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.67 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07558 |
|---|---|
| Drug Name | acetylleucyl-leucyl-norleucinal |
| CAS Number | 110044-82-1 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Amino Acids, Peptides, and Proteins Cysteine Proteinase Inhibitors Enzyme Inhibitors NF-kappa B, antagonists & inhibitors Oligopeptides Peptides Protease Inhibitors
Cross-references: BindingDB: 50069792 ChEBI: 2423 CHEMBL304784 ChemSpider: 391397 C11306 PDB: CIB PubChem:443118 PubChem:99444029 ZINC: ZINC000003826241
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 10.2 | Ki | ChEMBL |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 6.8 | Ki | ChEMBL;BindingDB |
| P0DTD1 | rep | Severe acute respiratory syndrome coronavirus 2 | 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 | 6.0 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O14818 | PSMA7 | Proteasome subunit alpha type-7 | binder | targets |