UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Fagomine Fagomine

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BGAL-1-E Beta-galactosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3100 0.77 Binding ≤ 10μM
D3ZUM4-1-E Beta-galactosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 4000 0.76 Binding ≤ 10μM
GANC-1-E Neutral Alpha-glucosidase C (cluster #1 Of 2), Eukaryotic Eukaryotes 6400 0.73 Binding ≤ 10μM
LPH-1-E Lactase-glycosylceramidase (cluster #1 Of 1), Eukaryotic Eukaryotes 1900 0.80 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) -2.07 -6.04 -37.52 5 4 1 77 148.182 1 ↓
Hi High (pH 8-9.5) -2.07 -7.38 -9.02 4 4 0 73 147.174 1 ↓

Analogs

3995890
3995890

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Popular Name: 1-Deoxynojirimycin 1-Deoxynojirimycin

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And 18 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 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

2585429
2585429
15657755
15657755

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Popular Name: 1,4-Dideoxy-1,4-imino-D-ribitol 1,4-Dideoxy-1,4-imino-D-ribitol

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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
GANC-1-E Neutral Alpha-glucosidase C (cluster #1 Of 2), Eukaryotic Eukaryotes 5800 0.81 Binding ≤ 10μM
O70282-1-E Trehalase (cluster #1 Of 1), Eukaryotic Eukaryotes 4800 0.83 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 -6.41 -36.71 5 4 1 77 134.155 1 ↓
Hi High (pH 8-9.5) -1.98 -7.71 -5.92 4 4 0 73 133.147 1 ↓

Analogs

2585429
2585429
15657755
15657755

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-Dideoxy-1,4-imino-D-ribitol 1,4-Dideoxy-1,4-imino-D-ribitol

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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
GANC-1-E Neutral Alpha-glucosidase C (cluster #1 Of 2), Eukaryotic Eukaryotes 5800 0.81 Binding ≤ 10μM
O70282-1-E Trehalase (cluster #1 Of 1), Eukaryotic Eukaryotes 4800 0.83 Binding ≤ 10μM
SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 80 1.10 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 -7.66 -35.71 5 4 1 77 134.155 1 ↓

Analogs

3870472
3870472
15657755
15657755
26187408
26187408
1492232
1492232
1492251
1492251

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-Dideoxy-1,4-imino-D-ribitol 1,4-Dideoxy-1,4-imino-D-ribitol

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Vendors

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 9700 0.78 Binding ≤ 10μM
D3ZAN3-1-E Alpha-glucosidase II (cluster #1 Of 1), Eukaryotic Eukaryotes 9700 0.78 Binding ≤ 10μM
GANC-1-E Neutral Alpha-glucosidase C (cluster #1 Of 2), Eukaryotic Eukaryotes 5800 0.81 Binding ≤ 10μM
O70282-1-E Trehalase (cluster #1 Of 1), Eukaryotic Eukaryotes 4800 0.83 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 -9.08 -35.34 5 4 1 77 134.155 1 ↓

Analogs

15657755
15657755
2585429
2585429

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-Dideoxy-1,4-imino-D-ribitol 1,4-Dideoxy-1,4-imino-D-ribitol

Find On: PubMed — Wikipedia — Google

Vendors

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 9700 0.78 Binding ≤ 10μM
D3ZAN3-1-E Alpha-glucosidase II (cluster #1 Of 1), Eukaryotic Eukaryotes 9700 0.78 Binding ≤ 10μM
GANC-1-E Neutral Alpha-glucosidase C (cluster #1 Of 2), Eukaryotic Eukaryotes 5800 0.81 Binding ≤ 10μM
O70282-1-E Trehalase (cluster #1 Of 1), Eukaryotic Eukaryotes 4800 0.83 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 -8.62 -34.43 5 4 1 77 134.155 1 ↓

Parameters Provided:

annotation.name = GANC_MOUSE
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 'GANC\\_MOUSE' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=GANC_MOUSE&filter.purchasability=purchasable

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