UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

38811138
38811138
6252346
6252346
6252345
6252345
4521524
4521524
22059992
22059992

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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:

target.name = GBA3-2-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 'GBA3-2-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=GBA3-2-E&target.type=B10&filter.purchasability=purchasable

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