UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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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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

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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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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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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:

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

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