| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 19 | No |
Popular Name: (2R,3R,4R,5S)-2-(hydroxymethyl)-1-octyl-piperidine-3,4,5-triol (2R,3R,4R,5S)-2-(hydroxymethyl)-…
| 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) | 1.30 | -1.72 | -36.37 | 5 | 5 | 1 | 85 | 276.397 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| B5THE3-1-E | Sucrase-isomaltase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 750 | 0.45 | Binding ≤ 10μM |
| CEGT-1-E | Ceramide Glucosyltransferase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4000 | 0.40 | Binding ≤ 10μM |
| GBA2-1-E | Beta-glucosidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 20 | 0.57 | Binding ≤ 10μM |
| GLCM-2-E | Glucosylceramidase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4000 | 0.40 | Binding ≤ 10μM |
| LYAG-1-E | Alpha-glucosidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8000 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBA2_HUMAN | Q9HCG7 | Beta-glucosidase, Human | 20 | 0.57 | Binding ≤ 1μM |
| B5THE3_MOUSE | B5THE3 | Sucrase-isomaltase, Mouse | 750 | 0.45 | Binding ≤ 1μM |
| GLCM_HUMAN | P04062 | Beta-glucocerebrosidase, Human | 4000 | 0.40 | Binding ≤ 10μM |
| GBA2_HUMAN | Q9HCG7 | Beta-glucosidase, Human | 20 | 0.57 | Binding ≤ 10μM |
| CEGT_MOUSE | O88693 | Ceramide Glucosyltransferase, Mouse | 4000 | 0.40 | Binding ≤ 10μM |
| LYAG_MOUSE | P70699 | Lysosomal Alpha-glucosidase, Mouse | 8000 | 0.38 | Binding ≤ 10μM |
| B5THE3_MOUSE | B5THE3 | Sucrase-isomaltase, Mouse | 750 | 0.45 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glycosphingolipid metabolism |
