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

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Vendors

    And 17 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    TS1R2-1-E Taste Receptor Type 1 Member 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 5700 0.49 Functional ≤ 10μM
    TS1R3-1-E Taste Receptor Type 1 Member 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 5700 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) 3.49 7.44 -41.57 0 3 -1 49 268.503 3

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Vendors

    And 19 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    TS1R2-1-E Taste Receptor Type 1 Member 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 5700 0.49 Functional ≤ 10μM
    TS1R3-1-E Taste Receptor Type 1 Member 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 5700 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) 3.49 0.79 -42.84 0 3 -1 49 268.503 3

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 42 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    TS1R2-1-E Taste Receptor Type 1 Member 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 5300 0.53 Functional ≤ 10μM
    TS1R3-1-E Taste Receptor Type 1 Member 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 5300 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) 2.89 0.93 -45.16 0 3 -1 49 234.058 3
    Hi High (pH 8-9.5) 1.74 7.66 -16.3 1 8 0 92 360.366 5

    Analogs

    Draw Identity 99% 90% 80% 70%

    Vendors

    And 45 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    TS1R2-1-E Taste Receptor Type 1 Member 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 5300 0.53 Functional ≤ 10μM
    TS1R3-1-E Taste Receptor Type 1 Member 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 5300 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) 2.89 6.98 -44.03 0 3 -1 49 234.058 3
    Hi High (pH 8-9.5) 1.74 7.77 -26.89 1 8 0 92 360.366 5

    Parameters Provided:

    annotation.name = TS1R3_HUMAN
    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 'TS1R3\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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