| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 15 | Yes |
(2R,3S,4R,5S)-1-(But-1-yl)-2-(hydroxymethyl)piperidine-3,4,5-triol
N-(n-Butyl)deoxygalactonojirimycin
N-Butyl-1-deoxygalactonojirimycin
| 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) | -0.72 | -3.01 | -32.91 | 5 | 5 | 1 | 85 | 220.289 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.72 | -2.52 | -40.01 | 4 | 5 | 0 | 88 | 219.281 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CEGT-1-E | Ceramide Glucosyltransferase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.47 | Binding ≤ 10μM |
| GBA2-1-E | Beta-glucosidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 300 | 0.61 | Binding ≤ 10μM |
| GDE-1-E | Glycogen Debranching Enzyme (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.47 | Binding ≤ 10μM |
| LYAG-1-E | Alpha-glucosidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1500 | 0.54 | Binding ≤ 10μM |
| MGA-1-E | Maltase-glucoamylase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 10000 | 0.47 | Binding ≤ 10μM |
| SUIS-1-E | Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 460 | 0.59 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GBA2_HUMAN | Q9HCG7 | Beta-glucosidase, Human | 300 | 0.61 | Binding ≤ 1μM |
| SUIS_HUMAN | P14410 | Sucrase-isomaltase, Human | 460 | 0.59 | Binding ≤ 1μM |
| GBA2_HUMAN | Q9HCG7 | Beta-glucosidase, Human | 300 | 0.61 | Binding ≤ 10μM |
| CEGT_HUMAN | Q16739 | Ceramide Glucosyltransferase, Human | 10000 | 0.47 | Binding ≤ 10μM |
| GDE_HUMAN | P35573 | Glycogen Debranching Enzyme, Human | 10000 | 0.47 | Binding ≤ 10μM |
| LYAG_HUMAN | P10253 | Lysosomal Alpha-glucosidase, Human | 1500 | 0.54 | Binding ≤ 10μM |
| MGA_HUMAN | O43451 | Maltase-glucoamylase, Human | 10000 | 0.47 | Binding ≤ 10μM |
| SUIS_HUMAN | P14410 | Sucrase-isomaltase, Human | 460 | 0.59 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Digestion of dietary carbohydrate | |
| Glycogen breakdown (glycogenolysis) | |
| Glycosphingolipid metabolism |