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

    Analogs

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    Popular Name: 4',4'''-Sulfonylbis(beta-chloracetanilide); Acetamide, N,N'-(sulfonyldi-4,1-phenylene)bis(2-chloro-; Acetanilide, 4',4'''-sulfonylbis(2-chloro-; BRN 2180613; LS-147964; NSC 30176; Sulfone, bis((4-chloroacetylamino)phenyl) 4',4'''-Sulfonylbis(beta-chlorac…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ANM1-2-E Protein-arginine N-methyltransferase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1500 0.33 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) 2.35 4.32 -25.48 2 6 0 92 401.271 6 ↓

    Analogs

    6316383
    6316383

    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
    ANM1-2-E Protein-arginine N-methyltransferase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 5000 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) 4.25 5.77 -43.25 1 6 -1 94 449.961 8 ↓
    Mid Mid (pH 6-8) 4.25 5.73 -14.69 2 6 0 92 450.969 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 7,7'-(Carbonylbis(azanediyl))bis(4-hydroxynaphthalene-2-sulfonic acid) 7,7'-(Carbonylbis(azanediyl))bis…

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    And 22 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ANM1-2-E Protein-arginine N-methyltransferase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1200 0.24 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) -1.14 -18.15 -97.26 4 11 -2 195 502.482 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-((4-((4-aminophenyl)sulfonyl)anilino)methyl)-2,4,5,6(1H,3H)-pyrimidinetetrone; 6323-45-1; nsc34238 1-((4-((4-aminophenyl)sulfonyl)a…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ANM1-2-E Protein-arginine N-methyltransferase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1700 0.29 Binding ≤ 10μM
    Q5VLE3-1-F RmtA (cluster #1 Of 2), Fungal Fungi 8300 0.25 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) -0.10 -1.44 -41.85 3 10 -1 164 401.38 5 ↓

    Parameters Provided:

    target.name = ANM1-2-E
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 'ANM1-2-E' 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=ANM1-2-E&target.type=B10&filter.purchasability=purchasable

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