UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-Phenyl-3-furoxancarbonitrile 4-Phenyl-3-furoxancarbonitrile

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q962Y6-1-E Thioredoxin Glutathione Reductase (cluster #1 Of 1), Eukaryotic Eukaryotes 6300 0.52 Binding ≤ 10μM
Z50587-8-O Homo Sapiens (cluster #8 Of 9), Other Other 4200 0.54 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 10 0.80 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) 2.02 5.6 -8.3 0 5 0 75 187.158 1 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-oxido-4-(2-thenoyl)furazan-5-ium-3-yl]-(2-thienyl)methanone [5-oxido-4-(2-thenoyl)furazan-5-…

Find On: PubMed — Wikipedia — Google

Vendors

And 7 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q962Y6-1-E Thioredoxin Glutathione Reductase (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.52 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) 3.54 7.09 -11.54 0 6 0 86 306.324 4 ↓

Parameters Provided:

annotation.name = Q962Y6_SCHMA
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'Q962Y6\\_SCHMA' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=Q962Y6_SCHMA&filter.purchasability=purchasable

Embed Link to Results