Molecule Details
| InChIKey | BJJIKPMJNDTIHW-FGWFJEOOSA-N |
|---|---|
| Compound Name | Zetekitoxin AB |
| Canonical SMILES | N=C1N[C@@]23[C@H]([C@H]4NC(=N)N2C[C@](OS(=O)(=O)O)(C[C@H]2[C@@H](CO)CON2C4=O)C3(O)O)N1COC(=O)NO |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 10.33 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q99250 | SCN2A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 11.2 | IC50 | BindingDB |
| P35499 | SCN4A | Homo sapiens | Human | PF00520 PF24609 PF06512 | 10.2 | IC50 | ChEMBL;BindingDB |
| Q14524 | SCN5A | Homo sapiens | Human | PF00520 PF24609 PF06512 PF11933 | 9.6 | IC50 | ChEMBL;BindingDB |