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

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 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

13840506
13840506
13840508
13840508
14140466
14140466

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Popular Name: N-Nonyldeoxynojirimycin N-Nonyldeoxynojirimycin

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

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 ↓

Parameters Provided:

target.name = B5THE3-1-E
target.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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'B5THE3-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=B5THE3-1-E&target.type=B10&filter.purchasability=purchasable

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