Molecule Details
| InChIKey | GDBQQVLCIARPGH-ULQDDVLXSA-N |
|---|---|
| Compound Name | Leupeptin |
| Canonical SMILES | CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCNC(=N)N |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.93 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16961 |
|---|---|
| Drug Name | Leupeptin |
| CAS Number | 55123-66-5 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Amino Acids, Peptides, and Proteins Cathepsins, antagonists & inhibitors Cysteine Proteinase Inhibitors Enzyme Inhibitors Oligopeptides Peptides Protease Inhibitors
Cross-references: BindingDB: 50213272 ChEBI: 6426 CHEMBL191881 ChemSpider: 65357 Wikipedia: Leupeptin ZINC: ZINC000004095672
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 8.4 | IC50 | ChEMBL |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 8.0 | IC50 | ChEMBL;BindingDB |
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 7.6 | Ki | ChEMBL;BindingDB |
| P05981 | HPN | Homo sapiens | Human | PF09272 PF00089 | 7.2 | Ki | ChEMBL |
| Q04756 | HGFAC | Homo sapiens | Human | PF00008 PF00040 PF00051 PF00089 | 6.7 | Ki | ChEMBL |
| P07384 | CAPN1 | Homo sapiens | Human | PF01067 PF13833 PF00648 | 6.5 | IC50 | ChEMBL;BindingDB |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.2 | IC50 | ChEMBL |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 6.2 | IC50 | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 6.2 | IC50 | ChEMBL |
| Q9Y5Y6 | ST14 | Homo sapiens | Human | PF00431 PF00057 PF01390 PF00089 | 6.2 | Ki | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P46925 | PMII | Plasmepsin II | inhibitor | targets |