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

    Analogs

    386699
    386699
    31308822
    31308822
    31308826
    31308826
    37788609
    37788609
    37794591
    37794591

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[3-(3-Carboxy-acryloylamino)-phenylcarbamoyl]-acrylic acid 3-[3-(3-Carboxy-acryloylamino)-p…

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    Vendors

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    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    LPAR1-4-E Lysophosphatidic Acid Receptor Edg-2 (cluster #4 Of 4), Eukaryotic Eukaryotes 50 0.46 Functional ≤ 10μM
    LPAR2-4-E Lysophosphatidic Acid Receptor Edg-4 (cluster #4 Of 4), Eukaryotic Eukaryotes 22 0.49 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) -0.20 -1.91 -98.77 2 8 -2 138 302.242 6 ↓

    Analogs

    39899683
    39899683

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    And 7 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    LPAR2-4-E Lysophosphatidic Acid Receptor Edg-4 (cluster #4 Of 4), Eukaryotic Eukaryotes 28 0.38 Functional ≤ 10μM
    LPAR3-3-E Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic Eukaryotes 7020 0.26 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) 1.62 8.38 -94.92 2 8 -2 138 378.34 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-4-keto-4-[4-[3-[4-[[(E)-4-keto-4-oxido-but-2-enoyl]amino]phenoxy]phenoxy]anilino]but-2-enoate (E)-4-keto-4-[4-[3-[4-[[(E)-4-ke…

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    Vendors

    And 3 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    LPAR2-4-E Lysophosphatidic Acid Receptor Edg-4 (cluster #4 Of 4), Eukaryotic Eukaryotes 9 0.31 Functional ≤ 10μM
    LPAR3-3-E Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic Eukaryotes 310 0.25 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) 3.31 -0.63 -99 2 10 -2 156 486.436 10 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,6-bis[[(E)-4-keto-4-oxido-but-2-enoyl]amino]benzoate 2,6-bis[[(E)-4-keto-4-oxido-but-…

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    LPAR2-4-E Lysophosphatidic Acid Receptor Edg-4 (cluster #4 Of 4), Eukaryotic Eukaryotes 355 0.36 Functional ≤ 10μM
    LPAR3-3-E Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic Eukaryotes 30 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) -0.70 2.89 -161.25 2 10 -3 179 345.243 7 ↓

    Parameters Provided:

    target.name = LPAR2-4-E
target.type = F10
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 'LPAR2-4-E' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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