UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4664121
4664121
164448
164448
378890
378890

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Popular Name: N1-(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl)-4-fluorobenzene-1-sulfonamide N1-(1,3,3-trimethylbicyclo[2.2.1…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
A4-5-E Beta Amyloid A4 Protein (cluster #5 Of 5), Eukaryotic Eukaryotes 1800 0.38 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) 3.84 6.45 -7.07 1 3 0 46 311.422 3 ↓

Analogs

164448
164448
378890
378890
4343323
4343323
4343325
4343325
37986103
37986103

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[(1S,2S,4R)-1,3,3-trimethylnorbornan-2-yl]benzenesulfonamide 4-fluoro-N-[(1S,2S,4R)-1,3,3-tri…

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Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
A4-5-E Beta Amyloid A4 Protein (cluster #5 Of 5), Eukaryotic Eukaryotes 5000 0.35 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) 3.84 6.44 -7.03 1 3 0 46 311.422 3 ↓

Analogs

4343325
4343325
4664121
4664121
37986103
37986103
37986104
37986104
164448
164448

Draw Identity 99% 90% 80% 70%

Popular Name: N1-(1,3,3-trimethylbicyclo[2.2.1]hept-2-yl)-4-fluorobenzene-1-sulfonamide N1-(1,3,3-trimethylbicyclo[2.2.1…

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
A4-5-E Beta Amyloid A4 Protein (cluster #5 Of 5), Eukaryotic Eukaryotes 5000 0.35 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) 3.84 5.85 -6.94 1 3 0 46 311.422 3 ↓

Parameters Provided:

target.name = A4-5-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 'A4-5-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=A4-5-E&target.type=B10&filter.purchasability=purchasable

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