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

    Analogs

    4262458
    4262458

    Draw Identity 99% 90% 80% 70%

    Popular Name: R24571 R24571

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    LUXR-1-B Transcriptional Activator Protein LuxR (cluster #1 Of 2), Bacterial Bacteria 7000 0.18 Binding ≤ 10μM
    Z50380-1-O Mycobacterium Smegmatis (cluster #1 Of 4), Other Other 7020 0.18 Functional ≤ 10μM
    Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 7943 0.18 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) 6.78 24.12 -44.27 0 3 1 18 652.256 9 ↓

    Analogs

    4262457
    4262457

    Draw Identity 99% 90% 80% 70%

    Popular Name: R24571 R24571

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    LUXR-1-B Transcriptional Activator Protein LuxR (cluster #1 Of 2), Bacterial Bacteria 7000 0.18 Binding ≤ 10μM
    Z50380-1-O Mycobacterium Smegmatis (cluster #1 Of 4), Other Other 7020 0.18 Functional ≤ 10μM
    Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 7943 0.18 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) 6.78 24.09 -46.1 0 3 1 18 652.256 9 ↓

    Analogs

    182197
    182197

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Vendors

    And 8 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    LUXR-1-B Transcriptional Activator Protein LuxR (cluster #1 Of 2), Bacterial Bacteria 770 0.50 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) 2.55 5.71 -17.33 1 3 0 46 314.204 3 ↓

    Analogs

    4102234
    4102234

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE N-(2-OXOTETRAHYDROFURAN-3-YL)OCT…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    LASR-1-B Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial Bacteria 1750 0.50 Functional ≤ 10μM
    LUXR-1-B Transcriptional Activator Protein LuxR (cluster #1 Of 2), Bacterial Bacteria 770 0.53 Functional ≤ 10μM
    TRAR-1-B Transcriptional Activator Protein TraR (cluster #1 Of 1), Bacterial Bacteria 770 0.53 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) 1.71 5.77 -16.49 1 4 0 55 227.304 7 ↓

    Analogs

    13350890
    13350890
    42764482
    42764482
    42764633
    42764633
    42764884
    42764884
    43617550
    43617550

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-Heptanoylhomoserine lactone N-Heptanoylhomoserine lactone

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    TRAR-1-B Transcriptional Activator Protein TraR (cluster #1 Of 1), Bacterial Bacteria 130 0.64 Binding ≤ 10μM
    LUXR-1-B Transcriptional Activator Protein LuxR (cluster #1 Of 2), Bacterial Bacteria 1360 0.55 Functional ≤ 10μM
    TRAR-1-B Transcriptional Activator Protein TraR (cluster #1 Of 1), Bacterial Bacteria 690 0.58 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) 1.21 0.08 -16.29 1 4 0 55 213.277 6 ↓

    Analogs

    42764884
    42764884
    43617550
    43617550
    4102234
    4102234

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-Decanoyl-L-Homoserine lactone N-Decanoyl-L-Homoserine lactone

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    LASR-1-B Transcriptional Activator Protein LasR (cluster #1 Of 1), Bacterial Bacteria 250 0.51 Functional ≤ 10μM
    LUXR-1-B Transcriptional Activator Protein LuxR (cluster #1 Of 2), Bacterial Bacteria 400 0.50 Functional ≤ 10μM
    Q9RMS5-1-B PhzR (cluster #1 Of 1), Bacterial Bacteria 6 0.64 Functional ≤ 10μM
    TRAR-1-B Transcriptional Activator Protein TraR (cluster #1 Of 1), Bacterial Bacteria 1050 0.47 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) 2.72 7.33 -16.44 1 4 0 55 255.358 9 ↓

    Parameters Provided:

    annotation.name = LUXR_VIBFI
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 'LUXR\\_VIBFI' AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

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

    Embed Link to Results

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