UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(4-acetylthiophen-2-yl)-2-chloroethan-1-one 1-(4-acetylthiophen-2-yl)-2-chlo…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSK3B-6-E Glycogen Synthase Kinase-3 Beta (cluster #6 Of 7), Eukaryotic Eukaryotes 8000 0.59 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) 1.79 5.13 -16.18 0 2 0 34 202.662 3 ↓

Analogs

2173325
2173325

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Popular Name: 2-CHLORO-1-(4,5-DICHLORO-2-THIENYL)ETHAN-1-ONE 2-CHLORO-1-(4,5-DICHLORO-2-THIEN…

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And 2 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSK3B-6-E Glycogen Synthase Kinase-3 Beta (cluster #6 Of 7), Eukaryotic Eukaryotes 2500 0.71 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) 3.37 0.02 -5.85 0 1 0 17 229.515 2 ↓

Analogs

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Popular Name: 2-chloro-1-(2,5-dichlorothien-3-yl)ethanone 2-chloro-1-(2,5-dichlorothien-3-…

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And 3 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSK3B-6-E Glycogen Synthase Kinase-3 Beta (cluster #6 Of 7), Eukaryotic Eukaryotes 5000 0.67 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) 3.26 0.1 -5.9 0 1 0 17 229.515 2 ↓

Analogs

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Popular Name: 2-chloro-1-(3,4-dibromo-2-thienyl)-1-ethanone 2-chloro-1-(3,4-dibromo-2-thieny…

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And 9 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSK3B-6-E Glycogen Synthase Kinase-3 Beta (cluster #6 Of 7), Eukaryotic Eukaryotes 500 0.80 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) 3.44 -0.91 -9.08 0 1 0 17 318.417 2 ↓

Analogs

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Popular Name: 2-bromo-1-(3,4-dibromo-2-thienyl)ethanone 2-bromo-1-(3,4-dibromo-2-thienyl…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSK3B-6-E Glycogen Synthase Kinase-3 Beta (cluster #6 Of 7), Eukaryotic Eukaryotes 1000 0.76 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) 3.57 6 -9.64 0 1 0 17 362.868 2 ↓

Analogs

26513826
26513826

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Popular Name: 2-Chloro-1-(5-chlorothiophen-2-yl)ethanone 2-Chloro-1-(5-chlorothiophen-2-y…

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And 11 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSK3B-6-E Glycogen Synthase Kinase-3 Beta (cluster #6 Of 7), Eukaryotic Eukaryotes 10000 0.70 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) 2.77 0.17 -5.1 0 1 0 17 195.07 2 ↓

Analogs

39296080
39296080

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Popular Name: BRD-K08939002-001-01-2 BRD-K08939002-001-01-2

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSK3B-6-E Glycogen Synthase Kinase-3 Beta (cluster #6 Of 7), Eukaryotic Eukaryotes 1000 0.76 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) 3.64 6.01 -5.74 0 1 0 17 318.417 2 ↓

Analogs

36172554
36172554
36172555
36172555

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Popular Name: 1-(5-Bromo-thiophen-2-yl)-2-chloro-ethanone 1-(5-Bromo-thiophen-2-yl)-2-chlo…

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Vendors

And 9 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSK3B-6-E Glycogen Synthase Kinase-3 Beta (cluster #6 Of 7), Eukaryotic Eukaryotes 10000 0.70 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) 2.90 -0.46 -5.02 0 1 0 17 239.521 2 ↓

Parameters Provided:

target.name = GSK3B-6-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 'GSK3B-6-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=GSK3B-6-E&target.type=B10&filter.purchasability=purchasable

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