Molecule Details
| InChIKey | GIQUSRUOIKSAJD-HFWDDYMOSA-N |
|---|---|
| Compound Name | Aeruginosin 102A |
| Canonical SMILES | N=C(N)N1CCC[C@H](NC(=O)C2CC3CCC(O)CC3N2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](O)Cc2ccc(OS(=O)(=O)O)cc2)C1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.16 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 8.4 | IC50 | BindingDB |
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 7.3 | IC50 | BindingDB |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.6 | IC50 | BindingDB |
| P00747 | PLG | Homo sapiens | Human | PF00051 PF00024 PF00089 | 6.4 | IC50 | BindingDB |