| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 11th, 2008 | 13 | Yes |
Popular Name: (1R,6S,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol (1R,6S,7R,8R,8aR)-1,2,3,5,6,7,8,…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -2.04 | -6.74 | -39.81 | 5 | 5 | 1 | 85 | 190.219 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GANAB-1-E | Neutral Alpha-glucosidase AB (cluster #1 Of 2), Eukaryotic | Eukaryotes | 15 | 0.84 | Binding ≤ 10μM |
| GLCM-2-E | Glucosylceramidase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 900 | 0.65 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 900 | 0.65 | Binding ≤ 1μM |
| GANAB_HUMAN | Q14697 | Neutral Alpha-glucosidase AB, Human | 15 | 0.84 | Binding ≤ 1μM |
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 1500 | 0.63 | Binding ≤ 10μM |
| GANAB_HUMAN | Q14697 | Neutral Alpha-glucosidase AB, Human | 15 | 0.84 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Calnexin/calreticulin cycle | |
| Glycosphingolipid metabolism | |
| N-glycan trimming in the ER and Calnexin/Calreticulin cycle |
