UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5766623
5766623

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Popular Name: 2,5-Dideoxy-2,5-imino-d-mannitol 2,5-Dideoxy-2,5-imino-d-mannitol

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GDE-1-E Glycogen Debranching Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 9800 0.64 Binding ≤ 10μM
LPH-1-E Lactase-glycosylceramidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3600 0.69 Binding ≤ 10μM
MAL62-2-F Alpha-glucosidase MAL62 (cluster #2 Of 2), Fungal Fungi 2000 0.73 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 -11.99 -33.49 6 5 1 97 164.181 2 ↓

Analogs

2585429
2585429
15657755
15657755

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Popular Name: 1,4-Dideoxy-1,4-Imino-D-Arabinitol 1,4-Dideoxy-1,4-Imino-D-Arabinitol

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Vendors

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 9700 0.78 Binding ≤ 10μM
D3ZAN3-1-E Alpha-glucosidase II (cluster #1 Of 1), Eukaryotic Eukaryotes 9700 0.78 Binding ≤ 10μM
GDE-1-E Glycogen Debranching Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 8400 0.79 Binding ≤ 10μM
PYGL-2-E Liver Glycogen Phosphorylase (cluster #2 Of 2), Eukaryotic Eukaryotes 370 1.00 Binding ≤ 10μM
PYGM-4-E Muscle Glycogen Phosphorylase (cluster #4 Of 4), Eukaryotic Eukaryotes 396 1.00 Binding ≤ 10μM
SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 5800 0.81 Binding ≤ 10μM
AMYG-1-F Glucoamylase, Intracellular Sporulation-specific (cluster #1 Of 1), Fungal Fungi 150 1.06 Binding ≤ 10μM
MAL62-2-F Alpha-glucosidase MAL62 (cluster #2 Of 2), Fungal Fungi 840 0.95 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) -1.98 -7.72 -35.36 5 4 1 77 134.155 1 ↓
Hi High (pH 8-9.5) -1.98 -9.1 -6.49 4 4 0 73 133.147 1 ↓

Parameters Provided:

target.name = MAL62-2-F
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 'MAL62-2-F' 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=MAL62-2-F&target.type=B10&filter.purchasability=purchasable

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