UCSF
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Analogs

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Popular Name: 2-ethyl-4-(4-nitrophenyl)-1,2,4-thiadiazolidine-3,5-dione 2-ethyl-4-(4-nitrophenyl)-1,2,4-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSK3A-3-E Glycogen Synthase Kinase-3 Alpha (cluster #3 Of 3), Eukaryotic Eukaryotes 8500 0.39 Binding ≤ 10μM
GSK3B-5-E Glycogen Synthase Kinase-3 Beta (cluster #5 Of 7), Eukaryotic Eukaryotes 8500 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GSK3A_HUMAN P49840 Glycogen Synthase Kinase-3 Alpha, Human 8500 0.39 Binding ≤ 10μM
GSK3B_HUMAN P49841 Glycogen Synthase Kinase-3 Beta, Human 8500 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) 1.17 6.63 -9.22 0 7 0 90 267.266 3 ↓

Analogs

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Popular Name: 2-ethyl-4-phenyl-1,2,4-thiadiazolidine-3,5-dione 2-ethyl-4-phenyl-1,2,4-thiadiazo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GSK3A-3-E Glycogen Synthase Kinase-3 Alpha (cluster #3 Of 3), Eukaryotic Eukaryotes 6000 0.49 Binding ≤ 10μM
GSK3B-5-E Glycogen Synthase Kinase-3 Beta (cluster #5 Of 7), Eukaryotic Eukaryotes 6000 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GSK3A_HUMAN P49840 Glycogen Synthase Kinase-3 Alpha, Human 6000 0.49 Binding ≤ 10μM
GSK3B_HUMAN P49841 Glycogen Synthase Kinase-3 Beta, Human 6000 0.49 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) 1.21 5.99 -9.38 0 4 0 44 222.269 2 ↓

Parameters Provided:

ring.id = 222728
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 222728 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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