Molecule Details
| InChIKey | IPOGMIXXMPIMID-RIWCUPLTSA-A |
|---|---|
| Compound Name | [(2R,3R,4S,5S,6R)-6-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-3,5-disulfonatooxy-2-(sulfonatooxymethyl)-6-[(2R,3S,4R,5R,6R)-2,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,4,5-trisulfonatooxyoxan-2-yl]methyl phosphate |
| Canonical SMILES | O=P([O-])([O-])OC[C@H]1O[C@H](O[C@@H]2[C@H](OS(=O)(=O)[O-])[C@@H](O[C@@H]3[C@H](OS(=O)(=O)[O-])[C@@H](O[C@@H]4[C@H](OS(=O)(=O)[O-])[C@@H](O[C@@H]5[C@@H](OS(=O)(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]5OS(=O)(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H]4OS(=O)(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H]2OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]1OS(=O)(=O)[O-] |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.46 |
| Source | BindingDB |
2D Structure
Activity Profile