| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 12 | Yes |
Popular Name: N-Methyldeoxynojirimycin N-Methyldeoxynojirimycin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 69567-10-8 , [69567-10-8]
(2R,3R,4R,5S)-2-(Hydroxymethyl)-1-methylpiperidine-3,4,5-triol
| 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) | -2.16 | -8.77 | -36.29 | 5 | 5 | 1 | 85 | 178.208 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| B1WC34-1-E | Alpha-glucosidase II Beta Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5800 | 0.61 | Binding ≤ 10μM |
| D3ZAN3-1-E | Alpha-glucosidase II (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5800 | 0.61 | Binding ≤ 10μM |
| LPH-1-E | Lactase-glycosylceramidase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4400 | 0.62 | Binding ≤ 10μM |
| LYAG-1-E | Alpha-glucosidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 420 | 0.74 | Binding ≤ 10μM |
| MGA-1-E | Maltase-glucoamylase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 120 | 0.81 | Binding ≤ 10μM |
| SUIS-1-E | Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4400 | 0.62 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LYAG_HUMAN | P10253 | Lysosomal Alpha-glucosidase, Human | 420 | 0.74 | Binding ≤ 1μM |
| MGA_HUMAN | O43451 | Maltase-glucoamylase, Human | 120 | 0.81 | Binding ≤ 1μM |
| SUIS_RAT | P23739 | Sucrase-isomaltase, Rat | 20 | 0.90 | Binding ≤ 1μM |
| D3ZAN3_RAT | D3ZAN3 | Alpha-glucosidase II, Rat | 1500 | 0.68 | Binding ≤ 10μM |
| B1WC34_RAT | B1WC34 | Alpha-glucosidase II Beta Subunit, Rat | 1500 | 0.68 | Binding ≤ 10μM |
| LPH_RAT | Q02401 | Lactase-glycosylceramidase, Rat | 4400 | 0.62 | Binding ≤ 10μM |
| LYAG_HUMAN | P10253 | Lysosomal Alpha-glucosidase, Human | 420 | 0.74 | Binding ≤ 10μM |
| MGA_HUMAN | O43451 | Maltase-glucoamylase, Human | 120 | 0.81 | Binding ≤ 10μM |
| SUIS_RAT | P23739 | Sucrase-isomaltase, Rat | 20 | 0.90 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Advanced glycosylation endproduct receptor signaling | |
| Calnexin/calreticulin cycle | |
| Digestion of dietary carbohydrate | |
| N-glycan trimming in the ER and Calnexin/Calreticulin cycle |
