Molecule Details
| InChIKey | FAXGPCHRFPCXOO-LXTPJMTPSA-N |
|---|---|
| Compound Name | Pepstatin |
| Canonical SMILES | CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 14 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.07 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB21282 |
|---|---|
| Drug Name | Pepstatin |
| CAS Number | 26305-03-3 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Pepstatin is a small molecule drug. Pepstatin has a monoisotopic molecular weight of 685.46 Da. |
Categories: Amino Acids, Peptides, and Proteins Anti-Infective Agents Antimalarials Antiparasitic Agents Antiprotozoals Antiviral Agents Enzyme Inhibitors HIV Protease Inhibitors Oligopeptides Peptides Protease Inhibitors
Cross-references: BindingDB: 912 ChEBI: 7989 CHEMBL296588 ZINC: ZINC000004217265
Target Activities (14)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14091 | CTSE | Homo sapiens | Human | PF07966 PF00026 | 9.3 | IC50 | ChEMBL;BindingDB |
| P07339 | CTSD | Homo sapiens | Human | PF07966 PF00026 | 9.3 | IC50 | ChEMBL;BindingDB |
| Q13443 | ADAM9 | Homo sapiens | Human | PF08516 PF00200 PF01562 PF01421 | 7.2 | IC50 | ChEMBL;BindingDB |
| P0DJD9 | PGA5 | Homo sapiens | Human | PF07966 PF00026 | 7.2 | IC50 | ChEMBL;BindingDB |
| P00797 | REN | Homo sapiens | Human | PF07966 PF00026 | 7.0 | Ki | ChEMBL;BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 6.1 | IC50 | ChEMBL |
| Q17SB2 | Plasmodium falciparum | Pathogen | PF00026 | 9.5 | IC50 | ChEMBL | |
| Q8IM16 | PMIV | Plasmodium falciparum (isolate 3D7) | Pathogen | PF00026 | 9.5 | IC50 | BindingDB |
| P46925 | PMII | Plasmodium falciparum (isolate HB3) | Pathogen | PF00026 | 9.3 | IC50 | ChEMBL;BindingDB |
| P39898 | PMI | Plasmodium falciparum (isolate HB3) | Pathogen | PF00026 | 9.1 | IC50 | ChEMBL;BindingDB |
| P04585 | gag-pol | Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) | Pathogen | PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 | 7.8 | Ki | BindingDB |
| Q9YQ12 | protease | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 7.3 | Ki | ChEMBL;BindingDB |
| Q72874 | pol | Human immunodeficiency virus type 1 | Pathogen | PF00077 | 7.2 | Ki | ChEMBL |
| P0CS83 | SAP2 | Candida albicans | Pathogen | PF00026 | 7.0 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P46925 | PMII | Plasmepsin II | inhibitor | targets |