Molecule Details
| InChIKey | AEKIJKSVXKWGRJ-BYPYZUCNSA-N |
|---|---|
| Compound Name | 5-Bromowillardiine |
| Canonical SMILES | N[C@@H](Cn1cc(Br)c(=O)[nH]c1=O)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.1 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04000 |
|---|---|
| Drug Name | Bromo-Willardiine |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50060636 CHEMBL333964 ChemSpider: 146824 PDB: BWD PubChem:167842 PubChem:46506954
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16478 | GRIK5 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 8.0 | Ki | ChEMBL;BindingDB |
| P42261 | GRIA1 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 7.0 | Ki | ChEMBL;BindingDB |
| P42262 | GRIA2 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 7.0 | Ki | ChEMBL;BindingDB |
| P48058 | GRIA4 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.3 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P42262 | GRIA2 | Glutamate receptor 2 | binder | targets |