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

    Analogs

    34937208
    34937208
    34939013
    34939013
    34939014
    34939014

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    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) 4.70 10.21 -13.39 1 3 0 42 353.219 3 ↓
    Lo Low (pH 4.5-6) 4.70 9.98 -31.89 2 3 1 43 354.227 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-cyano-4-(3-fluorophenyl)-N-(6-methyl-2-pyridyl)benzamide 3-cyano-4-(3-fluorophenyl)-N-(6-…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    GRM5-2-E Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic Eukaryotes 22 0.43 Binding ≤ 10μM
    GRM5-2-E Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic Eukaryotes 25 0.43 Functional ≤ 10μM
    ChEMBL Target Annotations
    Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
    GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 22 0.43 Binding ≤ 1μM
    GRM5_HUMAN P41594 Metabotropic Glutamate Receptor 5, Human 22 0.43 Binding ≤ 10μM
    GRM5_RAT P31424 Metabotropic Glutamate Receptor 5, Rat 25.3 0.43 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) 3.60 10.56 -17.9 1 4 0 66 331.35 3 ↓

    Parameters Provided:

    ring.id = 132930
filter.purchasability = annotated
page.format = targets
page.num = 1

    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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 132930 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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    //zinc12.docking.org/results/combination?ring.id=132930&filter.purchasability=annotated

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