Molecule Details
| InChIKey | WKGYGELJQPBBCV-VYRBHSGPSA-N |
|---|---|
| Compound Name | N-[(2S)-1-[2-hydroxy-3-(4-sulfamoylphenyl)sulfanylpropyl]sulfanylpropan-2-yl]-4-methylbenzenesulfonamide |
| Canonical SMILES | Cc1ccc(S(=O)(=O)N[C@@H](C)CSCC(O)CSc2ccc(S(N)(=O)=O)cc2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.25 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 8.2 | Ki | ChEMBL;BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 7.4 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 6.7 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.7 | Ki | ChEMBL;BindingDB |