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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

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    Popular Name: 2,3-dioxoindoline-7-carboxylic acid 2,3-dioxoindoline-7-carboxylic acid

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DNLI1-1-E DNA Ligase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4000 0.54 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) 0.35 1.76 -44.55 1 5 -1 90 190.134 1 ↓

    Analogs

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    Popular Name: 5-(methylthio)thiophene-2-carboxylic acid 5-(methylthio)thiophene-2-carbox…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DNLI1-1-E DNA Ligase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.70 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) 2.13 -0.68 -48.72 0 2 -1 40 173.238 2 ↓

    Analogs

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    Popular Name: 3-brosyl-N-[2-(4-sulfamoylphenyl)ethyl]propionamide 3-brosyl-N-[2-(4-sulfamoylphenyl…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DNLI1-1-E DNA Ligase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.26 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) 1.49 1.49 -23.14 3 7 0 123 475.386 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DNLI1-1-E DNA Ligase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 600 0.41 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) 1.99 9.51 -107.77 0 6 -2 107 308.311 6 ↓

    Parameters Provided:

    annotation.name = DNLI1_HUMAN
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 'DNLI1\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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