Molecule Details
| InChIKey | MVFBAGHUGNQNBW-ZRBLBEILSA-N |
|---|---|
| Compound Name | (R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-hydroxy-ethyl}-3-phenyl-2-phenylmethanesulfonylamino-propionamide |
| Canonical SMILES | N=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.99 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 7.4 | IC50 | ChEMBL;BindingDB |
| P08709 | F7 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 7.0 | IC50 | ChEMBL;BindingDB |
| P00742 | F10 | Homo sapiens | Human | PF00008 PF14670 PF00594 PF00089 | 6.6 | IC50 | ChEMBL;BindingDB |