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

    Analogs

    3881944
    3881944
    3881945
    3881945
    3881946
    3881946
    5275964
    5275964
    5276791
    5276791

    Draw Identity 99% 90% 80% 70%

    Popular Name: Prednisolone Prednisolone

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    And 26 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ANDR-2-E Androgen Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 2762 0.30 Binding ≤ 10μM
    FABPL-1-E Fatty Acid-binding Protein, Liver (cluster #1 Of 4), Eukaryotic Eukaryotes 2660 0.30 Binding ≤ 10μM
    GCR-2-E Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 6 0.44 Binding ≤ 10μM
    GLNA-1-E Glutamine Synthetase (cluster #1 Of 1), Eukaryotic Eukaryotes 32 0.40 Binding ≤ 10μM
    MCR-1-E Mineralocorticoid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 37 0.40 Binding ≤ 10μM
    GCR-2-E Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 20 0.41 Functional ≤ 10μM
    MCR-2-E Mineralocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 2 0.47 Functional ≤ 10μM
    Z100081-2-O PBMC (Peripheral Blood Mononuclear Cells) (cluster #2 Of 4), Other Other 25 0.41 Functional ≤ 10μM
    Z50594-7-O Mus Musculus (cluster #7 Of 9), Other Other 6 0.44 Functional ≤ 10μM
    Z80110-2-O CV-1 (Kidney Cells) (cluster #2 Of 2), Other Other 8 0.44 Functional ≤ 10μM
    Z80156-2-O HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other Other 760 0.33 Functional ≤ 10μM
    Z80682-3-O A549 (Lung Carcinoma Cells) (cluster #3 Of 11), Other Other 5 0.45 Functional ≤ 10μM
    Z80954-3-O HFF (Foreskin Fibroblasts) (cluster #3 Of 4), Other Other 7 0.44 Functional ≤ 10μM
    Z81011-3-O Human Cell Lines (cluster #3 Of 3), Other Other 48 0.39 Functional ≤ 10μM
    Z81247-4-O HeLa (Cervical Adenocarcinoma Cells) (cluster #4 Of 9), Other Other 16 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) 1.60 3.09 -16.14 3 5 0 95 360.45 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: CAY10471 CAY10471

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.42 Binding ≤ 10μM
    GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.40 Binding ≤ 10μM
    PD2R-1-E Prostanoid DP Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 653 0.30 Binding ≤ 10μM
    PD2R-1-E Prostanoid DP Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 1200 0.29 Binding ≤ 10μM
    TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 1394 0.28 Binding ≤ 10μM
    TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 6852 0.25 Binding ≤ 10μM
    GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 2), Eukaryotic Eukaryotes 3 0.41 Functional ≤ 10μM
    Z81011-1-O Human Cell Lines (cluster #1 Of 3), Other Other 3 0.41 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) 3.22 10.62 -54.35 0 6 -1 82 415.466 5 ↓

    Analogs

    6119130
    6119130
    6122081
    6122081

    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
    GLR-2-E Glucagon Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 181 0.39 Binding ≤ 10μM
    GLR-1-E Glucagon Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 129 0.40 Functional ≤ 10μM
    Z81011-1-O Human Cell Lines (cluster #1 Of 3), Other Other 129 0.40 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) 6.02 10.55 -5.86 1 3 0 53 346.54 6 ↓

    Analogs

    6119130
    6119130
    6122081
    6122081

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    And 8 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    GLR-2-E Glucagon Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 181 0.39 Binding ≤ 10μM
    GLR-1-E Glucagon Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 129 0.40 Functional ≤ 10μM
    Z81011-1-O Human Cell Lines (cluster #1 Of 3), Other Other 129 0.40 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) 6.02 10.55 -5.86 1 3 0 53 346.54 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(1S,2S)-1-hydroxy-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-2-methoxy-phenol 4-[(1S,2S)-1-hydroxy-2-[2-methox…

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z102222-1-O Plasma (cluster #1 Of 1), Other Other 2900 0.31 Functional ≤ 10μM
    Z81011-1-O Human Cell Lines (cluster #1 Of 3), Other Other 3800 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) 3.20 -0.84 -9.84 2 5 0 68 344.407 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: KN-62 KN-62

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic Eukaryotes 13 0.22 Binding ≤ 10μM
    P2RX7-1-E P2X Purinoceptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 51 0.20 Functional ≤ 10μM
    Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 20 0.21 Functional ≤ 10μM
    Z80548-1-O THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 5), Other Other 81 0.19 Functional ≤ 10μM
    Z81011-1-O Human Cell Lines (cluster #1 Of 3), Other Other 51 0.20 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) 5.08 -9.06 -32.14 0 11 0 130 721.861 10 ↓

    Analogs

    538278
    538278

    Draw Identity 99% 90% 80% 70%

    Popular Name: Ramatroban Ramatroban

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    And 20 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.40 Binding ≤ 10μM
    GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 77 0.34 Binding ≤ 10μM
    PD2R-1-E Prostanoid DP Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 6140 0.25 Binding ≤ 10μM
    TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 5 0.40 Binding ≤ 10μM
    TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 53 0.35 Binding ≤ 10μM
    GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 2), Eukaryotic Eukaryotes 461 0.31 Functional ≤ 10μM
    TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.39 Functional ≤ 10μM
    Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 50 0.35 Functional ≤ 10μM
    Z81011-1-O Human Cell Lines (cluster #1 Of 3), Other Other 10 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) 3.25 9.36 -49.74 1 6 -1 91 415.466 6 ↓

    Analogs

    39351828
    39351828
    39351829
    39351829
    39351830
    39351830
    39351831
    39351831

    Draw Identity 99% 90% 80% 70%

    Popular Name: Iloprost Iloprost

    Find On: PubMed — Wikipedia — Google

    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PI2R-2-E Prostanoid IP Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 7 0.44 Binding ≤ 10μM
    Z102352-3-O Plasma (cluster #3 Of 3), Other Other 5 0.45 Functional ≤ 10μM
    Z50587-5-O Homo Sapiens (cluster #5 Of 9), Other Other 48 0.39 Functional ≤ 10μM
    Z50597-6-O Rattus Norvegicus (cluster #6 Of 12), Other Other 11 0.43 Functional ≤ 10μM
    Z81011-3-O Human Cell Lines (cluster #3 Of 3), Other Other 3 0.46 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) 3.68 9.38 -48.27 2 4 -1 81 359.486 8 ↓
    Lo Low (pH 4.5-6) 3.68 7.41 -10.25 3 4 0 78 360.494 8 ↓

    Analogs

    39351828
    39351828
    39351829
    39351829
    39351830
    39351830
    39351831
    39351831

    Draw Identity 99% 90% 80% 70%

    Popular Name: Iloprost Iloprost

    Find On: PubMed — Wikipedia — Google

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    And 1 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PI2R-2-E Prostanoid IP Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 7 0.44 Binding ≤ 10μM
    Z102352-3-O Plasma (cluster #3 Of 3), Other Other 5 0.45 Functional ≤ 10μM
    Z50587-5-O Homo Sapiens (cluster #5 Of 9), Other Other 48 0.39 Functional ≤ 10μM
    Z50597-6-O Rattus Norvegicus (cluster #6 Of 12), Other Other 11 0.43 Functional ≤ 10μM
    Z81011-3-O Human Cell Lines (cluster #3 Of 3), Other Other 3 0.46 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) 3.68 9.17 -48.41 2 4 -1 81 359.486 8 ↓
    Lo Low (pH 4.5-6) 3.68 7.2 -10.44 3 4 0 78 360.494 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Probucol Probucol

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    And 27 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    Z102222-1-O Plasma (cluster #1 Of 1), Other Other 1300 0.24 Functional ≤ 10μM
    Z102352-1-O Plasma (cluster #1 Of 3), Other Other 3600 0.22 Functional ≤ 10μM
    Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 5300 0.21 Functional ≤ 10μM
    Z50590-1-O Sus Scrofa (cluster #1 Of 1), Other Other 500 0.25 Functional ≤ 10μM
    Z81011-1-O Human Cell Lines (cluster #1 Of 3), Other Other 2800 0.22 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) 9.46 15.79 -5.38 2 2 0 40 516.857 8 ↓

    Parameters Provided:

    annotation.name = Z81011
anotation.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 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 'Z81011' AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?annotation.name=Z81011&filter.purchasability=purchasable

    Embed Link to Results

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