UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3995890
3995890

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Popular Name: DDIG DDIG

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And 2 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGAL-1-E Alpha-galactosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3 1.08 Binding ≤ 10μM
GDE-1-E Glycogen Debranching Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.64 Binding ≤ 10μM
LYAG-1-E Alpha-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 6000 0.66 Binding ≤ 10μM
MGA-1-E Maltase-glucoamylase (cluster #1 Of 3), Eukaryotic Eukaryotes 1500 0.74 Binding ≤ 10μM
Q5DUH8-1-E Alpha-galactosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3 1.08 Binding ≤ 10μM
SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 260 0.84 Binding ≤ 10μM
AGALC-1-F Alpha-galactosidase C (cluster #1 Of 1), Fungal Fungi 3 1.08 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) -2.40 -8.74 -34.63 6 5 1 98 164.181 1 ↓

Analogs

899007
899007
1492230
1492230

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Popular Name: DNC010937 DNC010937

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AGAL-1-E Alpha-galactosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 780 0.78 Binding ≤ 10μM
GLCM-2-E Glucosylceramidase (cluster #2 Of 2), Eukaryotic Eukaryotes 200 0.85 Binding ≤ 10μM
LPH-1-E Lactase-glycosylceramidase (cluster #1 Of 1), Eukaryotic Eukaryotes 7200 0.65 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) -2.62 -10.88 -32.12 6 5 1 97 164.181 2 ↓

Parameters Provided:

annotation.name = AGAL_COFAR
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 'AGAL\\_COFAR' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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

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