Molecule Details
| InChIKey | BWMFRQKICHXLSH-BTDHUSNTSA-N |
|---|---|
| Compound Name | Grayanotoxin III (GTX3) |
| Canonical SMILES | CC1(C)[C@@H](O)C[C@H]2[C@](C)(O)[C@@H]3CCC4[C@@H](O)C3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.13 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.3 | Ki | BindingDB |
| Q8N1Q1 | CA13 | Homo sapiens | Human | PF00194 | 6.2 | Ki | BindingDB |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 6.1 | Ki | BindingDB |
| P07451 | CA3 | Homo sapiens | Human | PF00194 | 6.1 | Ki | BindingDB |
| P23280 | CA6 | Homo sapiens | Human | PF00194 | 6.1 | Ki | BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 6.0 | Ki | BindingDB |