Molecule Details
| InChIKey | VSGAQEPRDWDRPO-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-[(2-Benzylsulfanyl-4-chloro-5-sulfamoylbenzoyl)amino]butanoic acid |
| Canonical SMILES | NS(=O)(=O)c1cc(C(=O)NCCCC(=O)O)c(SCc2ccccc2)cc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.05 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 9.5 | Kd | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 9.0 | Kd | ChEMBL;BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 8.7 | Kd | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 8.5 | Kd | ChEMBL;BindingDB |
| P23280 | CA6 | Homo sapiens | Human | PF00194 | 7.8 | Kd | ChEMBL;BindingDB |
| Q8N1Q1 | CA13 | Homo sapiens | Human | PF00194 | 7.3 | Kd | ChEMBL;BindingDB |
| P07451 | CA3 | Homo sapiens | Human | PF00194 | 6.9 | Kd | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.7 | Kd | ChEMBL;BindingDB |