UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: EPIANDROSTERONE EPIANDROSTERONE

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
G6PD-1-E Glucose-6-phosphate 1-dehydrogenase (cluster #1 Of 1), Eukaryotic Eukaryotes 3400 0.36 Binding ≤ 10μM
Q9GRG7-1-E Glucose-6-phosphate 1-dehydrogenase (cluster #1 Of 1), Eukaryotic Eukaryotes 490 0.42 Binding ≤ 10μM
GPBAR-2-E G-protein Coupled Bile Acid Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 3200 0.37 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) 3.43 6.76 -6.06 1 2 0 37 290.447 0 ↓

Analogs

3882018
3882018
3882019
3882019
3882020
3882020
3882021
3882021
3977900
3977900

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Popular Name: DEHYDROEPIANDROSTERONE DEHYDROEPIANDROSTERONE

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Vendors

And 23 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
G6PD-1-E Glucose-6-phosphate 1-dehydrogenase (cluster #1 Of 1), Eukaryotic Eukaryotes 8900 0.34 Binding ≤ 10μM
Q9GRG7-1-E Glucose-6-phosphate 1-dehydrogenase (cluster #1 Of 1), Eukaryotic Eukaryotes 1700 0.38 Binding ≤ 10μM
GPBAR-2-E G-protein Coupled Bile Acid Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 3330 0.37 Functional ≤ 10μM
Z80178-2-O J774.A1 (Macrophage Cells) (cluster #2 Of 3), Other Other 141 0.46 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) 3.25 6.94 -6.17 1 2 0 37 288.431 0 ↓

Parameters Provided:

target.name = Q9GRG7-1-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 'Q9GRG7-1-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=Q9GRG7-1-E&target.type=B10&filter.purchasability=purchasable

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