UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] [5-amino-1-(4-methoxyphenyl)sulf…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CATB-1-E Cathepsin B (cluster #1 Of 6), Eukaryotic Eukaryotes 690 0.35 Binding ≤ 10μM
POLG-1-V Genome Polyprotein (cluster #1 Of 3), Viral Viruses 110 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) 2.51 3.49 -18.45 2 8 0 114 379.419 6 ↓

Analogs

20103768
20103768
33758625
33758625
812581
812581

Draw Identity 99% 90% 80% 70%

Popular Name: [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] [5-amino-1-(4-methoxyphenyl)sulf…

Find On: PubMed — Wikipedia — Google

Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
POLG-1-V Genome Polyprotein (cluster #1 Of 3), Viral Viruses 105 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) 2.95 4.4 -18.61 2 8 0 114 373.39 6 ↓

Analogs

33758625
33758625

Draw Identity 99% 90% 80% 70%

Popular Name: [5-amino-1-(4-methoxyphenyl)sulfonyl-pyrazol-3-yl] [5-amino-1-(4-methoxyphenyl)sulf…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
POLG-1-V Genome Polyprotein (cluster #1 Of 3), Viral Viruses 3550 0.28 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) 3.01 -3.35 -17.59 2 8 0 113 387.417 6 ↓

Analogs

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Popular Name: benzoic-acid-[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl]-ester benzoic-acid-[2-(2-cyanoethyl)-5…

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Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
POLG-1-V Genome Polyprotein (cluster #1 Of 3), Viral Viruses 1353 0.43 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) 2.06 7.72 -10.24 0 5 0 68 255.277 5 ↓

Parameters Provided:

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

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//zinc12.docking.org/results/combination?target.name=POLG-1-V&target.type=B10&filter.purchasability=purchasable

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