UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2,4-Dioxo-4-phenylbutanoic acid 2,4-Dioxo-4-phenylbutanoic acid

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
POLG-2-V Genome Polyprotein (cluster #2 Of 3), Viral Viruses 5700 0.52 Binding ≤ 10μM
Q8JXU8-1-V Hepatitis C Virus NS5B RNA-dependent RNA Polymerase (cluster #1 Of 2), Viral Viruses 5700 0.52 Binding ≤ 10μM
Q8JXU8-1-V Hepatitis C Virus NS5B RNA-dependent RNA Polymerase (cluster #1 Of 2), Viral Viruses 5700 0.52 Binding ≤ 10μM
Z50643-2-O Hepatitis C Virus (cluster #2 Of 5), Other Other 5700 0.52 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) 0.15 7.52 -48.84 0 4 -1 74 191.162 4 ↓

Analogs

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Popular Name: (Z)-4-[1-benzyl-4-[(4-chlorophenyl)methyl]-4-piperidyl]-2-hydroxy-4-oxo-but-2-enoic (Z)-4-[1-benzyl-4-[(4-chlorophen…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
POLG-3-V Genome Polyprotein (cluster #3 Of 3), Viral Viruses 430 0.31 Binding ≤ 10μM
Z50522-1-O Unidentified Influenza Virus (cluster #1 Of 1), Other Other 1500 0.28 Binding ≤ 10μM
Z50522-1-O Unidentified Influenza Virus (cluster #1 Of 1), Other Other 2100 0.27 Binding ≤ 10μM
Z50522-2-O Unidentified Influenza Virus (cluster #2 Of 2), Other Other 350 0.31 Functional ≤ 10μM
Z50522-2-O Unidentified Influenza Virus (cluster #2 Of 2), Other Other 350 0.31 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) 2.55 15.31 -73.76 1 5 0 79 413.901 8 ↓

Parameters Provided:

annotation.name = POLG_HCV1
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 'POLG\\_HCV1' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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