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

    Analogs

    33753670
    33753670
    12404516
    12404516

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    Popular Name: LS-191114 LS-191114

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ERR3-1-E Estrogen-related Receptor Gamma (cluster #1 Of 1), Eukaryotic Eukaryotes 13 0.37 Binding ≤ 10μM
    ESR1-1-E Estrogen Receptor Alpha (cluster #1 Of 5), Eukaryotic Eukaryotes 4 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) 5.58 13.62 -38.55 2 3 1 34 422.976 9 ↓

    Analogs

    32303365
    32303365

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    Popular Name: DY131 DY131

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ERR3-1-E Estrogen-related Receptor Gamma (cluster #1 Of 1), Eukaryotic Eukaryotes 660 0.38 Binding ≤ 10μM
    ERR3-2-E Estrogen-related Receptor Gamma (cluster #2 Of 2), Eukaryotic Eukaryotes 130 0.42 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) 3.47 6.39 -14.87 2 5 0 65 311.385 6 ↓

    Analogs

    431572
    431572
    32910316
    32910316

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ERR3-1-E Estrogen-related Receptor Gamma (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.38 Binding ≤ 10μM
    ERR3-2-E Estrogen-related Receptor Gamma (cluster #2 Of 2), Eukaryotic Eukaryotes 1300 0.39 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) 4.13 -0.91 -14.05 2 4 0 61 282.343 4 ↓

    Analogs

    1530090
    1530090
    1530689
    1530689
    1530690
    1530690
    8602413
    8602413
    44699472
    44699472

    Draw Identity 99% 90% 80% 70%

    Popular Name: (Z)-4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol (Z)-4-(1-(4-(2-(Dimethylamino)et…

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    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ERR3-1-E Estrogen-related Receptor Gamma (cluster #1 Of 1), Eukaryotic Eukaryotes 13 0.38 Binding ≤ 10μM
    ESR1-1-E Estrogen Receptor Alpha (cluster #1 Of 5), Eukaryotic Eukaryotes 6 0.40 Binding ≤ 10μM
    ESR2-1-E Estrogen Receptor Beta (cluster #1 Of 4), Eukaryotic Eukaryotes 32 0.36 Binding ≤ 10μM
    PLD1-1-E Phospholipase D1 (cluster #1 Of 2), Eukaryotic Eukaryotes 4800 0.26 Binding ≤ 10μM
    PLD2-1-E Phospholipase D2 (cluster #1 Of 1), Eukaryotic Eukaryotes 44 0.36 Binding ≤ 10μM
    ERR3-1-E Estrogen-related Receptor Gamma (cluster #1 Of 2), Eukaryotic Eukaryotes 20 0.37 Functional ≤ 10μM
    ESR1-1-E Estrogen Receptor Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 7 0.39 Functional ≤ 10μM
    ESR2-1-E Estrogen Receptor Beta (cluster #1 Of 2), Eukaryotic Eukaryotes 7 0.39 Functional ≤ 10μM
    Z80224-1-O MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other Other 8000 0.25 Functional ≤ 10μM
    Z80296-1-O MVLN (cluster #1 Of 1), Other Other 3 0.41 Functional ≤ 10μM
    Z80561-1-O U2OS (Osteosarcoma Cells) (cluster #1 Of 1), Other Other 2 0.42 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) 5.59 12.96 -37.36 2 3 1 34 388.531 8 ↓

    Parameters Provided:

    target.name = ERR3-1-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 'ERR3-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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