UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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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 ↓

Analogs

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Popular Name: LS-99342 LS-99342

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-16-O Plasmodium Falciparum (cluster #16 Of 22), Other Other 10000 0.50 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) 1.12 4.64 -9.65 0 5 0 60 187.158 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-Iodouridine 6-Iodouridine

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Vendors

And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-16-O Plasmodium Falciparum (cluster #16 Of 22), Other Other 6200 0.41 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) -0.56 -6.7 -13.72 4 8 0 125 370.099 2 ↓
Hi High (pH 8-9.5) -0.10 -8.46 -51.45 3 8 -1 128 369.091 2 ↓

Parameters Provided:

target.name = Z50425-16-O
target.type = F10
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 'Z50425-16-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=Z50425-16-O&target.type=F10&filter.purchasability=purchasable

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