UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2585429
2585429
15657755
15657755

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-Dideoxy-1,4-imino-D-ribitol 1,4-Dideoxy-1,4-imino-D-ribitol

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Vendors

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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
GANC-1-E Neutral Alpha-glucosidase C (cluster #1 Of 2), Eukaryotic Eukaryotes 5800 0.81 Binding ≤ 10μM
O70282-1-E Trehalase (cluster #1 Of 1), Eukaryotic Eukaryotes 4800 0.83 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 -6.41 -36.71 5 4 1 77 134.155 1 ↓
Hi High (pH 8-9.5) -1.98 -7.71 -5.92 4 4 0 73 133.147 1 ↓

Analogs

2585429
2585429
15657755
15657755

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-Dideoxy-1,4-imino-D-ribitol 1,4-Dideoxy-1,4-imino-D-ribitol

Find On: PubMed — Wikipedia — Google

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
GANC-1-E Neutral Alpha-glucosidase C (cluster #1 Of 2), Eukaryotic Eukaryotes 5800 0.81 Binding ≤ 10μM
O70282-1-E Trehalase (cluster #1 Of 1), Eukaryotic Eukaryotes 4800 0.83 Binding ≤ 10μM
SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 80 1.10 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 -7.66 -35.71 5 4 1 77 134.155 1 ↓

Analogs

3870472
3870472
15657755
15657755
26187408
26187408
1492232
1492232
1492251
1492251

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-Dideoxy-1,4-imino-D-ribitol 1,4-Dideoxy-1,4-imino-D-ribitol

Find On: PubMed — Wikipedia — Google

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
GANC-1-E Neutral Alpha-glucosidase C (cluster #1 Of 2), Eukaryotic Eukaryotes 5800 0.81 Binding ≤ 10μM
O70282-1-E Trehalase (cluster #1 Of 1), Eukaryotic Eukaryotes 4800 0.83 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 -9.08 -35.34 5 4 1 77 134.155 1 ↓

Analogs

15657755
15657755
2585429
2585429

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-Dideoxy-1,4-imino-D-ribitol 1,4-Dideoxy-1,4-imino-D-ribitol

Find On: PubMed — Wikipedia — Google

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
GANC-1-E Neutral Alpha-glucosidase C (cluster #1 Of 2), Eukaryotic Eukaryotes 5800 0.81 Binding ≤ 10μM
O70282-1-E Trehalase (cluster #1 Of 1), Eukaryotic Eukaryotes 4800 0.83 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 -8.62 -34.43 5 4 1 77 134.155 1 ↓

Parameters Provided:

target.name = O70282-1-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 'O70282-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=O70282-1-E&target.type=B10&filter.purchasability=purchasable

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