Molecule Details
InChIKeyVRXJCJYEASMQQU-ZESVGKPKSA-N
Compound Name4-[4-({[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-1H-1,2,3-triazol-1-yl]benzene-1-sulfonamide
Canonical SMILESNS(=O)(=O)c1ccc(-n2cc(CO[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.51
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P00915 CA1 Homo sapiens Human PF00194 8.1 Ki ChEMBL;BindingDB
P00918 CA2 Homo sapiens Human PF00194 7.3 Ki ChEMBL;BindingDB
Q16790 CA9 Homo sapiens Human PF00194 7.1 Ki ChEMBL;BindingDB