Molecule Details
InChIKeyXUFXOAAUWZOOIT-UGEKTDRHSA-N
Compound Name(3R,4R,5S,6R)-5-(((2R,3R,4R,5S,6R)-5-(((2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-(((1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino)oxan-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-6-(hydroxymethyl)oxane-2,3,4-triol
Canonical SMILESC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)5
Pfam Stratification Cross-Family
Avg pChEMBL6.35
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (5)
Target Gene Organism Category Pfam pChEMBL Type Source
O43451 MGAM Homo sapiens Human PF13802 PF01055 PF21365 PF00088 6.4 IC50 ChEMBL
P10253 GAA Homo sapiens Human PF13802 PF01055 PF21365 PF00088 6.4 Ki ChEMBL
P14410 SI Homo sapiens Human PF13802 PF01055 PF21365 PF00088 6.4 Ki ChEMBL
Q2M2H8 MGAM2 Homo sapiens Human PF13802 PF01055 PF21365 PF00088 6.4 Ki ChEMBL
P0DUB6 AMY1A Homo sapiens Human PF00128 PF02806 6.3 IC50 ChEMBL;BindingDB