UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5339636
5339636
6127508
6127508

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Popular Name: 1,4-dimethoxy-9,10-dihydroanthracene-9,10-dione 1,4-dimethoxy-9,10-dihydroanthra…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DUS3-3-E Dual Specificity Protein Phosphatase 3 (cluster #3 Of 3), Eukaryotic Eukaryotes 3070 0.39 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) 3.69 8.11 -14.1 0 4 0 53 268.268 2 ↓

Analogs

4077011
4077011
33861928
33861928

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Popular Name: (2R)-2-[(5Z)-4-keto-5-[(E)-3-phenylprop-2-enylidene]-2-thioxo-thiazolidin-3-yl]-3-phenyl-propionate (2R)-2-[(5Z)-4-keto-5-[(E)-3-phe…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DUS3-3-E Dual Specificity Protein Phosphatase 3 (cluster #3 Of 3), Eukaryotic Eukaryotes 2010 0.30 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) 3.69 0.11 -60.35 0 4 -1 62 394.497 6 ↓

Analogs

33861928
33861928
1269245
1269245

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Popular Name: 2-(5-cinnamylidene-4-oxo-2-thioxo-thiazolidin-3-yl)-3-phenyl-propanoic 2-(5-cinnamylidene-4-oxo-2-thiox…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DUS3-3-E Dual Specificity Protein Phosphatase 3 (cluster #3 Of 3), Eukaryotic Eukaryotes 2010 0.30 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) 3.69 0.12 -60.38 0 4 -1 62 394.497 6 ↓

Parameters Provided:

target.name = DUS3-3-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 'DUS3-3-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=DUS3-3-E&target.type=B10&filter.purchasability=purchasable

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