| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 28 | Yes |
Popular Name: (2R,3S,4R,5S)-1-[5-(1-adamantylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol (2R,3S,4R,5S)-1-[5-(1-adamantylm…
| 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) | 1.81 | 2.97 | -35.16 | 5 | 6 | 1 | 95 | 398.564 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.81 | 3.47 | -42.12 | 4 | 6 | 0 | 97 | 397.556 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CEGT-1-E | Ceramide Glucosyltransferase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 500 | 0.32 | Binding ≤ 10μM |
| GBA2-1-E | Beta-glucosidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1 | 0.45 | Binding ≤ 10μM |
| GDE-1-E | Glycogen Debranching Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4000 | 0.27 | Binding ≤ 10μM |
| LYAG-1-E | Alpha-glucosidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 500 | 0.32 | Binding ≤ 10μM |
| SUIS-1-E | Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3500 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBA2_HUMAN | Q9HCG7 | Beta-glucosidase, Human | 1 | 0.45 | Binding ≤ 1μM |
| CEGT_HUMAN | Q16739 | Ceramide Glucosyltransferase, Human | 500 | 0.32 | Binding ≤ 1μM |
| LYAG_HUMAN | P10253 | Lysosomal Alpha-glucosidase, Human | 500 | 0.32 | Binding ≤ 1μM |
| GBA2_HUMAN | Q9HCG7 | Beta-glucosidase, Human | 1 | 0.45 | Binding ≤ 10μM |
| CEGT_HUMAN | Q16739 | Ceramide Glucosyltransferase, Human | 500 | 0.32 | Binding ≤ 10μM |
| GDE_HUMAN | P35573 | Glycogen Debranching Enzyme, Human | 4000 | 0.27 | Binding ≤ 10μM |
| LYAG_HUMAN | P10253 | Lysosomal Alpha-glucosidase, Human | 500 | 0.32 | Binding ≤ 10μM |
| SUIS_HUMAN | P14410 | Sucrase-isomaltase, Human | 3500 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Digestion of dietary carbohydrate | |
| Glycogen breakdown (glycogenolysis) | |
| Glycosphingolipid metabolism |
