Molecule Details
| InChIKey | KUPGDBTUKULRSA-ISPAPPPSSA-N |
|---|---|
| Compound Name | (2S,3R)-2-amino-N-[(E)-2-[3-(6-aminopyrimidin-4-yl)phenyl]ethenyl]sulfonyl-3-hydroxybutanamide |
| Canonical SMILES | C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)/C=C/c1cccc(-c2cc(N)ncn2)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.12 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P26639 | TARS1 | Homo sapiens | Human | PF03129 PF02824 PF00587 PF07973 | 8.4 | Ki | ChEMBL;BindingDB |
| Q8ZDW5 | thrS | Yersinia pestis | Pathogen | PF03129 PF02824 PF00587 PF07973 | 8.7 | Ki | ChEMBL;BindingDB |
| Q8IIA4 | Plasmodium falciparum (isolate 3D7) | Pathogen | PF03129 PF00587 PF07973 | 7.2 | IC50 | ChEMBL |