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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

    5758157
    5758157
    44630076
    44630076

    Draw Identity 99% 90% 80% 70%

    Popular Name: mono-Lauryl phosphate mono-Lauryl phosphate

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    LPAR1-1-E Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 2), Eukaryotic Eukaryotes 1354 0.48 Binding ≤ 10μM
    LPAR3-2-E Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 2), Eukaryotic Eukaryotes 121 0.57 Binding ≤ 10μM
    LPAR1-2-E Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 4), Eukaryotic Eukaryotes 2800 0.46 Functional ≤ 10μM
    LPAR2-1-E Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 4), Eukaryotic Eukaryotes 3100 0.45 Functional ≤ 10μM
    LPAR3-1-E Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 3), Eukaryotic Eukaryotes 384 0.53 Functional ≤ 10μM
    Z50587-2-O Homo Sapiens (cluster #2 Of 9), Other Other 250 0.54 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) 4.49 8.57 -131.04 0 4 -2 72 264.302 12 ↓

    Analogs

    36178968
    36178968
    36178975
    36178975
    38594934
    38594934
    39337603
    39337603
    39337614
    39337614

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-Decanephosphonic acid 1-Decanephosphonic acid

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    LPAR1-2-E Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 2), Eukaryotic Eukaryotes 1500 0.58 Binding ≤ 10μM
    LPAR2-1-E Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic Eukaryotes 1500 0.58 Binding ≤ 10μM
    LPAR3-2-E Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 2), Eukaryotic Eukaryotes 680 0.62 Binding ≤ 10μM
    LPAR1-3-E Lysophosphatidic Acid Receptor Edg-2 (cluster #3 Of 4), Eukaryotic Eukaryotes 3122 0.55 Functional ≤ 10μM
    LPAR2-2-E Lysophosphatidic Acid Receptor Edg-4 (cluster #2 Of 4), Eukaryotic Eukaryotes 3122 0.55 Functional ≤ 10μM
    LPAR3-2-E Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 3), Eukaryotic Eukaryotes 3122 0.55 Functional ≤ 10μM
    Z80390-7-O PC-3 (Prostate Carcinoma Cells) (cluster #7 Of 10), Other Other 3122 0.55 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) 3.52 5.64 -38.26 1 3 -1 60 221.257 9 ↓
    Hi High (pH 8-9.5) 3.52 6.75 -123.3 0 3 -2 63 220.249 9 ↓

    Analogs

    38594934
    38594934
    39337603
    39337603
    39337614
    39337614
    39337622
    39337622
    43481723
    43481723

    Draw Identity 99% 90% 80% 70%

    Popular Name: Tetradecyl Phosphonate Tetradecyl Phosphonate

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    LPAR1-2-E Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 2), Eukaryotic Eukaryotes 4620 0.41 Binding ≤ 10μM
    LPAR2-1-E Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic Eukaryotes 4620 0.41 Binding ≤ 10μM
    LPAR3-2-E Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 2), Eukaryotic Eukaryotes 4620 0.41 Binding ≤ 10μM
    LPAR1-3-E Lysophosphatidic Acid Receptor Edg-2 (cluster #3 Of 4), Eukaryotic Eukaryotes 9674 0.39 Functional ≤ 10μM
    LPAR2-2-E Lysophosphatidic Acid Receptor Edg-4 (cluster #2 Of 4), Eukaryotic Eukaryotes 9674 0.39 Functional ≤ 10μM
    LPAR3-2-E Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 3), Eukaryotic Eukaryotes 9674 0.39 Functional ≤ 10μM
    Z80390-7-O PC-3 (Prostate Carcinoma Cells) (cluster #7 Of 10), Other Other 9674 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) 5.55 8.76 -38.27 1 3 -1 60 277.365 13 ↓
    Hi High (pH 8-9.5) 5.55 9.88 -123.34 0 3 -2 63 276.357 13 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Ki16425 Ki16425

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    And 3 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    LPAR1-1-E Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 2), Eukaryotic Eukaryotes 425 0.28 Binding ≤ 10μM
    LPAR2-1-E Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic Eukaryotes 1740 0.25 Binding ≤ 10μM
    LPAR3-1-E Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 2), Eukaryotic Eukaryotes 1740 0.25 Binding ≤ 10μM
    LPAR1-1-E Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 4), Eukaryotic Eukaryotes 762 0.27 Functional ≤ 10μM
    LPAR2-3-E Lysophosphatidic Acid Receptor Edg-4 (cluster #3 Of 4), Eukaryotic Eukaryotes 3384 0.24 Functional ≤ 10μM
    LPAR3-3-E Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic Eukaryotes 3384 0.24 Functional ≤ 10μM
    Z80390-1-O PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other Other 3384 0.24 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) 4.80 13.28 -48.06 1 7 -1 104 473.958 10 ↓
    Hi High (pH 8-9.5) -4.82 -3.88 -40.25 5 8 1 122 272.281 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Ki16425 Ki16425

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    And 3 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    LPAR1-1-E Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 2), Eukaryotic Eukaryotes 425 0.28 Binding ≤ 10μM
    LPAR2-1-E Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic Eukaryotes 1740 0.25 Binding ≤ 10μM
    LPAR3-1-E Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 2), Eukaryotic Eukaryotes 1740 0.25 Binding ≤ 10μM
    LPAR1-1-E Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 4), Eukaryotic Eukaryotes 762 0.27 Functional ≤ 10μM
    LPAR2-3-E Lysophosphatidic Acid Receptor Edg-4 (cluster #3 Of 4), Eukaryotic Eukaryotes 3384 0.24 Functional ≤ 10μM
    LPAR3-3-E Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic Eukaryotes 3384 0.24 Functional ≤ 10μM
    Z80390-1-O PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other Other 3384 0.24 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) 4.80 13.28 -48.01 1 7 -1 104 473.958 10 ↓
    Hi High (pH 8-9.5) -4.82 -2.1 -40.24 5 8 1 122 272.281 3 ↓

    Analogs

    36178975
    36178975
    38594934
    38594934
    39337603
    39337603
    39337614
    39337614
    39337622
    39337622

    Draw Identity 99% 90% 80% 70%

    Popular Name: n-Dodecanephosphonic acid n-Dodecanephosphonic acid

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    LPAR1-2-E Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 2), Eukaryotic Eukaryotes 1270 0.52 Binding ≤ 10μM
    LPAR2-1-E Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic Eukaryotes 1270 0.52 Binding ≤ 10μM
    LPAR3-2-E Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 2), Eukaryotic Eukaryotes 303 0.57 Binding ≤ 10μM
    LPAR1-3-E Lysophosphatidic Acid Receptor Edg-2 (cluster #3 Of 4), Eukaryotic Eukaryotes 2638 0.49 Functional ≤ 10μM
    LPAR2-2-E Lysophosphatidic Acid Receptor Edg-4 (cluster #2 Of 4), Eukaryotic Eukaryotes 2638 0.49 Functional ≤ 10μM
    LPAR3-2-E Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 3), Eukaryotic Eukaryotes 654 0.54 Functional ≤ 10μM
    Z80390-7-O PC-3 (Prostate Carcinoma Cells) (cluster #7 Of 10), Other Other 2638 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) 4.53 7.2 -38.25 1 3 -1 60 249.311 11 ↓
    Hi High (pH 8-9.5) 4.53 8.32 -123.32 0 3 -2 63 248.303 11 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,3-diketo-2-[3-(4-nitrophenoxy)phenyl]isoindoline-5-carboxylate 1,3-diketo-2-[3-(4-nitrophenoxy)…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    LPAR1-1-E Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 2), Eukaryotic Eukaryotes 48 0.34 Binding ≤ 10μM
    LPAR3-1-E Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 2), Eukaryotic Eukaryotes 230 0.31 Binding ≤ 10μM
    LPAR5-1-E Lysophosphatidic Acid Receptor 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 292 0.30 Binding ≤ 10μM
    LPAR1-1-E Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 4), Eukaryotic Eukaryotes 94 0.33 Functional ≤ 10μM
    LPAR3-3-E Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic Eukaryotes 752 0.29 Functional ≤ 10μM
    LPAR5-2-E Lysophosphatidic Acid Receptor 5 (cluster #2 Of 2), Eukaryotic Eukaryotes 463 0.30 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) 4.59 2.17 -46.27 0 9 -1 134 403.326 5 ↓

    Analogs

    3212935
    3212935

    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
    LPAR1-1-E Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 2), Eukaryotic Eukaryotes 311 0.40 Binding ≤ 10μM
    LPAR3-1-E Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 2), Eukaryotic Eukaryotes 1084 0.36 Binding ≤ 10μM
    LPAR1-1-E Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 4), Eukaryotic Eukaryotes 609 0.38 Functional ≤ 10μM
    LPAR3-3-E Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic Eukaryotes 2992 0.34 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) 2.95 1.7 -52.89 0 6 -1 88 310.285 4 ↓

    Analogs

    14953257
    14953257
    14953268
    14953268

    Draw Identity 99% 90% 80% 70%

    Popular Name: PA(18:1(9Z)/0:0) PA(18:1(9Z)/0:0)

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ENPP2-2-E Autotaxin (cluster #2 Of 2), Eukaryotic Eukaryotes 442 0.31 Binding ≤ 10μM
    LPAR1-2-E Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 4), Eukaryotic Eukaryotes 31 0.36 Functional ≤ 10μM
    LPAR2-1-E Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 4), Eukaryotic Eukaryotes 7 0.39 Functional ≤ 10μM
    LPAR3-1-E Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 3), Eukaryotic Eukaryotes 263 0.32 Functional ≤ 10μM
    LPAR5-1-E Lysophosphatidic Acid Receptor 5 (cluster #1 Of 2), Eukaryotic Eukaryotes 12 0.38 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) 5.95 11.88 -133.15 1 7 -2 119 434.51 21 ↓
    Mid Mid (pH 6-8) 5.95 10.72 -45.25 2 7 -1 116 435.518 21 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-hexadecanoylamino-3-phosphonooxy-propanoic 2-hexadecanoylamino-3-phosphonoo…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    LPAR1-2-E Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 4), Eukaryotic Eukaryotes 1850 0.29 Functional ≤ 10μM
    LPAR3-1-E Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 3), Eukaryotic Eukaryotes 1600 0.29 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) 3.40 11.05 -223.01 1 8 -3 142 420.463 19 ↓
    Mid Mid (pH 6-8) 3.40 9.91 -112.61 2 8 -2 139 421.471 19 ↓

    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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    And 11 More

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    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 ↓

    Parameters Provided:

    annotation.name = LPAR1_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 'LPAR1\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?annotation.name=LPAR1_HUMAN&filter.purchasability=purchasable

    Embed Link to Results

  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245