UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: KOTALANOL KOTALANOL

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LYAG-2-E Alpha-glucosidase (cluster #2 Of 2), Eukaryotic Eukaryotes 7200 0.28 Binding ≤ 10μM
MGA-2-E Maltase-glucoamylase (cluster #2 Of 3), Eukaryotic Eukaryotes 190 0.36 Binding ≤ 10μM
SUIS-2-E Sucrase-isomaltase (cluster #2 Of 3), Eukaryotic Eukaryotes 750 0.33 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

Analogs

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Popular Name: SALACINOL SALACINOL

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LYAG-2-E Alpha-glucosidase (cluster #2 Of 2), Eukaryotic Eukaryotes 9850 0.35 Binding ≤ 10μM
MGA-2-E Maltase-glucoamylase (cluster #2 Of 3), Eukaryotic Eukaryotes 1000 0.42 Binding ≤ 10μM
SUIS-2-E Sucrase-isomaltase (cluster #2 Of 3), Eukaryotic Eukaryotes 5700 0.37 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) -5.70 -12.62 -52.32 5 9 0 168 334.368 7 ↓

Parameters Provided:

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

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