Molecule Details
| InChIKey | AXXYLTBQIQBTES-BYPYZUCNSA-N |
|---|---|
| Compound Name | Iodo-Willardiine |
| Canonical SMILES | N[C@@H](Cn1cc(I)c(=O)[nH]c1=O)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.29 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02818 |
|---|---|
| Drug Name | Iodo-Willardiine |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50060627 CHEMBL121915 ChemSpider: 394358 PDB: IWD PubChem:447196 PubChem:46506600 ZINC: ZINC000002047688
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16478 | GRIK5 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 9.6 | Ki | ChEMBL;BindingDB |
| P42261 | GRIA1 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.8 | Ki | ChEMBL;BindingDB |
| P42262 | GRIA2 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.8 | Ki | ChEMBL;BindingDB |
| P48058 | GRIA4 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 6.0 | Ki | ChEMBL;BindingDB |