Molecule Details
| InChIKey | LMJSLTNSBFUCMU-MRVPVSSYSA-N |
|---|---|
| Compound Name | 6-chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide |
| Canonical SMILES | NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](C(Cl)Cl)NS2(=O)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.81 |
| Source | BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08645 |
|---|---|
| Drug Name | 6-CHLORO-3-(DICHLOROMETHYL)-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: CHEMBL1231193 ChemSpider: 5036525 PDB: TRU PubChem:6604229 PubChem:99445116 ZINC: ZINC000000897236
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 8.1 | Ki | BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.1 | Ki | BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.0 | Ki | BindingDB |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 6.9 | Ki | BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 6.5 | Ki | BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.5 | Ki | BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.3 | Ki | BindingDB |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 6.1 | Ki | BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P00918 | CA2 | Carbonic anhydrase 2 | binder | targets |