UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5'-O-Trityl-2'-deoxyuridine 5'-O-Trityl-2'-deoxyuridine

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Vendors

And 1 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8II92-1-E DUTP Pyrophosphatase (cluster #1 Of 1), Eukaryotic Eukaryotes 1800 0.23 Binding ≤ 10μM
Q8II92-1-E DUTP Pyrophosphatase (cluster #1 Of 1), Eukaryotic Eukaryotes 1800 0.23 Binding ≤ 10μM
Z50425-16-O Plasmodium Falciparum (cluster #16 Of 22), Other Other 6000 0.21 Functional ≤ 10μM
Z50425-16-O Plasmodium Falciparum (cluster #16 Of 22), Other Other 6000 0.21 Functional ≤ 10μM
Z50426-1-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #1 Of 9), Other Other 6000 0.21 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) 3.33 -4.24 -15.8 2 7 0 93 470.525 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5'-O-Trityl-2'-deoxyuridine 5'-O-Trityl-2'-deoxyuridine

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8II92-1-E DUTP Pyrophosphatase (cluster #1 Of 1), Eukaryotic Eukaryotes 1800 0.23 Binding ≤ 10μM
Z50425-16-O Plasmodium Falciparum (cluster #16 Of 22), Other Other 6000 0.21 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) 3.33 -2.87 -18.95 2 7 0 93 470.525 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5'-O-Trityl-2'-deoxyuridine 5'-O-Trityl-2'-deoxyuridine

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8II92-1-E DUTP Pyrophosphatase (cluster #1 Of 1), Eukaryotic Eukaryotes 1800 0.23 Binding ≤ 10μM
Z50425-16-O Plasmodium Falciparum (cluster #16 Of 22), Other Other 6000 0.21 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) 3.33 -4.23 -14.47 2 7 0 93 470.525 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5'-O-Trityl-2'-deoxyuridine 5'-O-Trityl-2'-deoxyuridine

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8II92-1-E DUTP Pyrophosphatase (cluster #1 Of 1), Eukaryotic Eukaryotes 1800 0.23 Binding ≤ 10μM
Z50425-16-O Plasmodium Falciparum (cluster #16 Of 22), Other Other 6000 0.21 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) 3.33 -3.43 -18.71 2 7 0 93 470.525 7 ↓

Parameters Provided:

annotation.name = Q8II92_PLAF7
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 'Q8II92\\_PLAF7' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=Q8II92_PLAF7&filter.purchasability=purchasable

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