Molecule Details
| InChIKey | HEKNEXYMJKVOGQ-SAIUNTKASA-N |
|---|---|
| Compound Name | 3-[[(2R)-1-[[(2S)-1-[3-(aminomethyl)phenyl]-4-(4-carbamimidoylphenyl)-3-oxobutan-2-yl]amino]-1-oxo-5-phenylpentan-2-yl]sulfamoylmethyl]benzoic acid |
| Canonical SMILES | N=C(N)c1ccc(CC(=O)[C@H](Cc2cccc(CN)c2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(C(=O)O)c2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.61 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P03952 | KLKB1 | Homo sapiens | Human | PF00024 PF00089 | 10.7 | Ki | ChEMBL;BindingDB |
| P00747 | PLG | Homo sapiens | Human | PF00051 PF00024 PF00089 | 8.7 | Ki | ChEMBL;BindingDB |
| P03951 | F11 | Homo sapiens | Human | PF00024 PF00089 | 7.7 | Ki | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 7.3 | Ki | ChEMBL;BindingDB |