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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: (3S)-1-phenyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione (3S)-1-phenyl-3-[4-[3-(trifluoro…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    MAOX-1-E NADP-dependent Malic Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 3150 0.27 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) 2.83 8.92 -11.86 0 5 0 44 403.404 4 ↓
    Ref Reference (pH 7) 2.83 8.74 -13.9 0 5 0 44 403.404 4 ↓
    Mid Mid (pH 6-8) 2.83 11.08 -55.06 1 5 1 45 404.412 4 ↓

    Analogs

    19848966
    19848966
    705383
    705383

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    Popular Name: (3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenyl-pyrrolidine-2,5-dione (3R)-3-[4-(4-fluorophenyl)pipera…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    MAOX-1-E NADP-dependent Malic Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.27 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) 2.12 7.79 -13.76 0 5 0 44 353.397 3 ↓
    Ref Reference (pH 7) 2.12 7.74 -13.47 0 5 0 44 353.397 3 ↓
    Mid Mid (pH 6-8) 2.12 10.14 -56.95 1 5 1 45 354.405 3 ↓

    Analogs

    4140853
    4140853
    16901582
    16901582

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 12 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    MAOX-1-E NADP-dependent Malic Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 150 0.37 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) 1.48 4.8 -14.43 1 6 0 64 351.406 3 ↓
    Ref Reference (pH 7) 1.48 4.87 -14.68 1 6 0 64 351.406 3 ↓

    Parameters Provided:

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

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