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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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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Vendors

And 2 More

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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

8627075
8627075
11681339
11681339
11681341
11681341
13719785
13719785
22053713
22053713

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Popular Name: 1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol 1-butyl-2-(hydroxymethyl)piperid…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GBA2-1-E Beta-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 250 0.62 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 -6.68 -30.36 5 5 1 85 220.289 4 ↓

Analogs

33854099
33854099

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Popular Name: (2S,3R,4R,5S)-1-[5-(1-adamantylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol (2S,3R,4R,5S)-1-[5-(1-adamantylm…

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Vendors

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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 150 0.34 Binding ≤ 10μM
GBA2-1-E Beta-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 30 0.38 Binding ≤ 10μM
GLCM-2-E Glucosylceramidase (cluster #2 Of 2), Eukaryotic Eukaryotes 2000 0.28 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) 1.81 2.91 -31.36 5 6 1 95 398.564 9 ↓
Hi High (pH 8-9.5) 1.81 3.44 -31.92 4 6 0 97 397.556 9 ↓

Analogs

3957104
3957104
2562349
2562349
3794711
3794711

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Popular Name: CDP-923 CDP-923

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Vendors

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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

22053713
22053713
3957104
3957104
2562349
2562349
3794711
3794711

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Popular Name: 3,4,5-Piperidinetriol, 1-butyl-2-(hydroxymethyl)-, (2S,3S,4R,5S)- (9CI) 3,4,5-Piperidinetriol, 1-butyl-2…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GBA2-1-E Beta-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 9000 0.47 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 -4.84 -32.86 5 5 1 85 220.289 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4R,5S)-2-(hydroxymethyl)-1-nonyl-piperidine-3,4,5-triol (2S,3R,4R,5S)-2-(hydroxymethyl)-…

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Vendors

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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 2000 0.40 Binding ≤ 10μM
GBA2-1-E Beta-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 10 0.56 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) 1.81 0.83 -29.77 5 5 1 85 290.424 9 ↓

Analogs

13840506
13840506
13840508
13840508
14140466
14140466

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Popular Name: N-Nonyldeoxynojirimycin N-Nonyldeoxynojirimycin

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
B5THE3-1-E Sucrase-isomaltase (cluster #1 Of 1), Eukaryotic Eukaryotes 400 0.45 Binding ≤ 10μM
CEGT-1-E Ceramide Glucosyltransferase (cluster #1 Of 1), Eukaryotic Eukaryotes 4000 0.38 Binding ≤ 10μM
GBA2-1-E Beta-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 7 0.57 Binding ≤ 10μM
GLCM-2-E Glucosylceramidase (cluster #2 Of 2), Eukaryotic Eukaryotes 660 0.43 Binding ≤ 10μM
LYAG-1-E Alpha-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 8000 0.36 Binding ≤ 10μM
Z50641-1-O West Nile Virus (cluster #1 Of 2), Other Other 4000 0.38 Functional ≤ 10μM
Z50676-2-O Dengue Virus (cluster #2 Of 2), Other Other 1100 0.42 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) 1.81 -0.83 -36.18 5 5 1 85 290.424 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-Dodecyldeoxynojirimycin N-Dodecyldeoxynojirimycin

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GBA2-1-E Beta-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 2 0.53 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) 3.32 1.6 -34.72 5 5 1 85 332.505 12 ↓
Hi High (pH 8-9.5) 3.32 2.06 -42.35 4 5 0 88 331.497 12 ↓

Analogs

38811138
38811138
6252346
6252346
6252345
6252345
4521524
4521524
22059992
22059992

Draw Identity 99% 90% 80% 70%

Popular Name: O-(D-Glucopyranosylidene)aminoN-Phenylcarbamate O-(D-Glucopyranosylidene)aminoN-…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GBA2-2-E Beta-glucosidase (cluster #2 Of 2), Eukaryotic Eukaryotes 2500 0.36 Binding ≤ 10μM
GBA3-2-E Beta-glucosidase Cytosolic (cluster #2 Of 2), Eukaryotic Eukaryotes 2500 0.36 Binding ≤ 10μM
GLCM-1-E Glucosylceramidase (cluster #1 Of 2), Eukaryotic Eukaryotes 2500 0.36 Binding ≤ 10μM
MANBA-1-E Beta-mannosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 25 0.48 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) -0.75 -5.86 -16.54 5 9 0 141 312.278 4 ↓

Analogs

38811138
38811138
6252346
6252346
6252345
6252345
4521524
4521524
22059992
22059992

Draw Identity 99% 90% 80% 70%

Popular Name: O-(D-Glucopyranosylidene)aminoN-Phenylcarbamate O-(D-Glucopyranosylidene)aminoN-…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GBA2-2-E Beta-glucosidase (cluster #2 Of 2), Eukaryotic Eukaryotes 2500 0.36 Binding ≤ 10μM
GBA3-2-E Beta-glucosidase Cytosolic (cluster #2 Of 2), Eukaryotic Eukaryotes 2500 0.36 Binding ≤ 10μM
GLCM-1-E Glucosylceramidase (cluster #1 Of 2), Eukaryotic Eukaryotes 2500 0.36 Binding ≤ 10μM
MANBA-1-E Beta-mannosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 25 0.48 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) -0.75 -6.94 -15.51 5 9 0 141 312.278 4 ↓

Parameters Provided:

annotation.name = GBA2_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 'GBA2\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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