UCSF

ZINC03794714

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 11 Yes

Popular Name: 1-Deoxynojirimycin 1-Deoxynojirimycin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 19130-96-2 , 70956-02-4 , 73285-50-4 , [19130-96-2] , [70956-02-4]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) -2.40 -9.17 -39.08 6 5 1 98 164.181 1 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links GLU2A_SCHPO; MA1A1_HUMAN; MA1A1_MOUSE; MA1A1_PIG; MA1A1_RABIT; MA1A2_HUMAN; MA1A2_MOUSE; MA1B1_HUMAN; MA1C1_HUMAN; MAN12_PENCI; MNS1_ARATH; MNS2_ARATH; MNS3_ARATH; TIM16_CAEEL ChEBI

Activity (Go SEA)

Clustered Target Annotations
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 4600 0.68 Binding ≤ 10μM
D3ZAN3-1-E Alpha-glucosidase II (cluster #1 Of 1), Eukaryotic Eukaryotes 4600 0.68 Binding ≤ 10μM
GANAB-1-E Neutral Alpha-glucosidase AB (cluster #1 Of 2), Eukaryotic Eukaryotes 160 0.86 Binding ≤ 10μM
GANC-1-E Neutral Alpha-glucosidase C (cluster #1 Of 2), Eukaryotic Eukaryotes 300 0.83 Binding ≤ 10μM
GDE-1-E Glycogen Debranching Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 190 0.86 Binding ≤ 10μM
GLCM-2-E Glucosylceramidase (cluster #2 Of 2), Eukaryotic Eukaryotes 2000 0.73 Binding ≤ 10μM
LYAG-1-E Alpha-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 400 0.81 Binding ≤ 10μM
MGA-1-E Maltase-glucoamylase (cluster #1 Of 3), Eukaryotic Eukaryotes 40 0.94 Binding ≤ 10μM
Q43014-2-E Beta-glucosidase (cluster #2 Of 2), Eukaryotic Eukaryotes 9500 0.64 Binding ≤ 10μM
Q9LGC6-1-E Alpha-glucosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 50 0.93 Binding ≤ 10μM
SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 650 0.79 Binding ≤ 10μM
P94451-1-B Alpha-glucosidase (cluster #1 Of 1), Bacterial Bacteria 1670 0.74 Binding ≤ 10μM
Z81057-3-O HUVEC (Umbilical Vein Endothelial Cells) (cluster #3 Of 4), Other Other 2000 0.73 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LYAG_RAT Q6P7A9 Acidic Alpha-glucosidase, Rat 130 0.88 Binding ≤ 1μM
LYAG_BOVIN Q9MYM4 Alpha-glucosidase, Bovin 400 0.81 Binding ≤ 1μM
Q9LGC6_ORYSJ Q9LGC6 Alpha-glucosidase, Orysj 30 0.96 Binding ≤ 1μM
D3ZAN3_RAT D3ZAN3 Alpha-glucosidase II, Rat 400 0.81 Binding ≤ 1μM
B1WC34_RAT B1WC34 Alpha-glucosidase II Beta Subunit, Rat 400 0.81 Binding ≤ 1μM
GDE_RABIT P35574 Glycogen Debranching Enzyme, Rabit 190 0.86 Binding ≤ 1μM
LYAG_HUMAN P10253 Lysosomal Alpha-glucosidase, Human 1000 0.76 Binding ≤ 1μM
MGA_HUMAN O43451 Maltase-glucoamylase, Human 360 0.82 Binding ≤ 1μM
GANAB_HUMAN Q14697 Neutral Alpha-glucosidase AB, Human 14 1.00 Binding ≤ 1μM
GANC_MOUSE Q8BVW0 Neutral Alpha-glucosidase C, Mouse 300 0.83 Binding ≤ 1μM
SUIS_RAT P23739 Sucrase-isomaltase, Rat 160 0.86 Binding ≤ 1μM
LYAG_RAT Q6P7A9 Acidic Alpha-glucosidase, Rat 130 0.88 Binding ≤ 10μM
LYAG_BOVIN Q9MYM4 Alpha-glucosidase, Bovin 400 0.81 Binding ≤ 10μM
Q9LGC6_ORYSJ Q9LGC6 Alpha-glucosidase, Orysj 30 0.96 Binding ≤ 10μM
P94451_GEOSE P94451 Alpha-glucosidase, Geose 1670 0.74 Binding ≤ 10μM
D3ZAN3_RAT D3ZAN3 Alpha-glucosidase II, Rat 1300 0.75 Binding ≤ 10μM
B1WC34_RAT B1WC34 Alpha-glucosidase II Beta Subunit, Rat 1300 0.75 Binding ≤ 10μM
GLCM_HUMAN P04062 Beta-glucocerebrosidase, Human 2000 0.73 Binding ≤ 10μM
Q43014_PRUAV Q43014 Beta-glucosidase, Pruav 9500 0.64 Binding ≤ 10μM
GDE_RABIT P35574 Glycogen Debranching Enzyme, Rabit 190 0.86 Binding ≤ 10μM
GDE_HUMAN P35573 Glycogen Debranching Enzyme, Human 10000 0.64 Binding ≤ 10μM
LYAG_HUMAN P10253 Lysosomal Alpha-glucosidase, Human 1000 0.76 Binding ≤ 10μM
MGA_HUMAN O43451 Maltase-glucoamylase, Human 2000 0.73 Binding ≤ 10μM
GANAB_HUMAN Q14697 Neutral Alpha-glucosidase AB, Human 1300 0.75 Binding ≤ 10μM
GANC_MOUSE Q8BVW0 Neutral Alpha-glucosidase C, Mouse 300 0.83 Binding ≤ 10μM
SUIS_RAT P23739 Sucrase-isomaltase, Rat 160 0.86 Binding ≤ 10μM
SUIS_HUMAN P14410 Sucrase-isomaltase, Human 2000 0.73 Binding ≤ 10μM
Z81057 Z81057 HUVEC (Umbilical Vein Endothelial Cells) 2000 0.73 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Advanced glycosylation endproduct receptor signaling
Calnexin/calreticulin cycle
Digestion of dietary carbohydrate
Glycogen breakdown (glycogenolysis)
Glycosphingolipid metabolism
N-glycan trimming in the ER and Calnexin/Calreticulin cycle

Analogs ( Draw Identity 99% 90% 80% 70% )