UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3957104
3957104
8627075
8627075
11681339
11681339
11681341
11681341
13719785
13719785

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Popular Name: Zavesca Zavesca

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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 5300 0.49 Binding ≤ 10μM
B5THE3-1-E Sucrase-isomaltase (cluster #1 Of 1), Eukaryotic Eukaryotes 600 0.58 Binding ≤ 10μM
D3ZAN3-1-E Alpha-glucosidase II (cluster #1 Of 1), Eukaryotic Eukaryotes 5300 0.49 Binding ≤ 10μM
GBA2-1-E Beta-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 230 0.62 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 9000 0.47 Binding ≤ 10μM
MGA-1-E Maltase-glucoamylase (cluster #1 Of 3), Eukaryotic Eukaryotes 9000 0.47 Binding ≤ 10μM
SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 580 0.58 Binding ≤ 10μM

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) -0.72 -4.65 -34.04 5 5 1 85 220.289 4 ↓
Hi High (pH 8-9.5) -0.72 -4.19 -42.06 4 5 0 88 219.281 4 ↓

Analogs

3957104
3957104
2562349
2562349
3794711
3794711

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Popular Name: CDP-923 CDP-923

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Clustered Target Annotations
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

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) -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 ↓

Analogs

3995890
3995890

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Popular Name: DDIG DDIG

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGAL-1-E Alpha-galactosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3 1.08 Binding ≤ 10μM
GDE-1-E Glycogen Debranching Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.64 Binding ≤ 10μM
LYAG-1-E Alpha-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 6000 0.66 Binding ≤ 10μM
MGA-1-E Maltase-glucoamylase (cluster #1 Of 3), Eukaryotic Eukaryotes 1500 0.74 Binding ≤ 10μM
Q5DUH8-1-E Alpha-galactosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3 1.08 Binding ≤ 10μM
SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 260 0.84 Binding ≤ 10μM
AGALC-1-F Alpha-galactosidase C (cluster #1 Of 1), Fungal Fungi 3 1.08 Binding ≤ 10μM

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 -8.74 -34.63 6 5 1 98 164.181 1 ↓

Analogs

3995890
3995890

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Popular Name: 1-Deoxynojirimycin 1-Deoxynojirimycin

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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

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 ↓

Analogs

5766623
5766623

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Popular Name: 2,5-Dideoxy-2,5-imino-d-mannitol 2,5-Dideoxy-2,5-imino-d-mannitol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GDE-1-E Glycogen Debranching Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 9800 0.64 Binding ≤ 10μM
LPH-1-E Lactase-glycosylceramidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3600 0.69 Binding ≤ 10μM
MAL62-2-F Alpha-glucosidase MAL62 (cluster #2 Of 2), Fungal Fungi 2000 0.73 Binding ≤ 10μM

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) -2.62 -11.99 -33.49 6 5 1 97 164.181 2 ↓

Analogs

2585429
2585429
15657755
15657755

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Popular Name: 1,4-Dideoxy-1,4-Imino-D-Arabinitol 1,4-Dideoxy-1,4-Imino-D-Arabinitol

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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 9700 0.78 Binding ≤ 10μM
D3ZAN3-1-E Alpha-glucosidase II (cluster #1 Of 1), Eukaryotic Eukaryotes 9700 0.78 Binding ≤ 10μM
GDE-1-E Glycogen Debranching Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 8400 0.79 Binding ≤ 10μM
PYGL-2-E Liver Glycogen Phosphorylase (cluster #2 Of 2), Eukaryotic Eukaryotes 370 1.00 Binding ≤ 10μM
PYGM-4-E Muscle Glycogen Phosphorylase (cluster #4 Of 4), Eukaryotic Eukaryotes 396 1.00 Binding ≤ 10μM
SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 5800 0.81 Binding ≤ 10μM
AMYG-1-F Glucoamylase, Intracellular Sporulation-specific (cluster #1 Of 1), Fungal Fungi 150 1.06 Binding ≤ 10μM
MAL62-2-F Alpha-glucosidase MAL62 (cluster #2 Of 2), Fungal Fungi 840 0.95 Binding ≤ 10μM

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) -1.98 -7.72 -35.36 5 4 1 77 134.155 1 ↓
Hi High (pH 8-9.5) -1.98 -9.1 -6.49 4 4 0 73 133.147 1 ↓

Parameters Provided:

annotation.name = GDE_HUMAN
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'GDE\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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