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

    Analogs

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKBA-1-E NF-kappaB Inhibitor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 8500 0.34 Binding ≤ 10μM
    TF65-3-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 2000 0.38 Binding ≤ 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) 2.10 3.17 -11.72 3 5 0 85 299.355 3

    Analogs

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKBA-1-E NF-kappaB Inhibitor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 2100 0.38 Binding ≤ 10μM
    TF65-3-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 1000 0.40 Binding ≤ 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) 3.46 5.58 -32.8 1 4 0 62 338.841 3
    Mid Mid (pH 6-8) 3.46 5.13 -49.28 0 4 -1 61 337.833 3

    Analogs

    525779
    525779

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKBA-1-E NF-kappaB Inhibitor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 6400 0.35 Binding ≤ 10μM
    TF65-3-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 1400 0.39 Binding ≤ 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) 3.59 5.69 -32.81 1 4 0 62 383.292 3
    Mid Mid (pH 6-8) 3.59 5.24 -49.33 0 4 -1 61 382.284 3

    Analogs

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKBA-1-E NF-kappaB Inhibitor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 9000 0.37 Binding ≤ 10μM
    TF65-3-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 3600 0.40 Binding ≤ 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) 2.61 3.9 -54.41 0 4 -1 61 289.361 3
    Mid Mid (pH 6-8) 2.61 4.39 -39.72 1 4 0 62 290.369 3

    Analogs

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKBA-1-E NF-kappaB Inhibitor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 2700 0.39 Binding ≤ 10μM
    TF65-3-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 1300 0.41 Binding ≤ 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) 3.41 4.52 -48.17 0 4 -1 61 323.806 3
    Mid Mid (pH 6-8) 3.41 5.02 -35.31 1 4 0 62 324.814 3

    Analogs

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    TF65-3-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 3200 0.33 Binding ≤ 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) 2.57 6.35 -62.49 0 7 -1 107 328.329 4
    Mid Mid (pH 6-8) 2.57 6.84 -43.87 1 7 0 108 329.337 4

    Analogs

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKBA-1-E NF-kappaB Inhibitor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 800 0.41 Binding ≤ 10μM
    TF65-3-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 600 0.41 Binding ≤ 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) 3.02 4.63 -16.38 1 4 0 59 296.351 0
    Mid Mid (pH 6-8) 3.02 5.16 -40.93 1 4 0 62 296.351 0
    Mid Mid (pH 6-8) 3.02 4.68 -55.84 0 4 -1 61 295.343 0

    Analogs

    525779
    525779

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKBA-1-E NF-kappaB Inhibitor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 6800 0.36 Binding ≤ 10μM
    TF65-3-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 1100 0.42 Binding ≤ 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) 3.54 4.63 -48.31 0 4 -1 61 368.257 3
    Mid Mid (pH 6-8) 3.54 5.12 -35.31 1 4 0 62 369.265 3

    Analogs

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKBA-1-E NF-kappaB Inhibitor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 6000 0.30 Binding ≤ 10μM
    TF65-3-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 900 0.35 Binding ≤ 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) 2.65 6.71 -35.99 1 7 0 108 343.364 4
    Mid Mid (pH 6-8) 2.65 6.26 -52.61 0 7 -1 107 342.356 4

    Analogs

    7999131
    7999131

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    TF65-3-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 3000 0.55 Binding ≤ 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) 1.22 3.95 -10.24 0 3 0 58 207.254 2

    Analogs

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKBA-1-E NF-kappaB Inhibitor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 2600 0.39 Binding ≤ 10μM
    TF65-3-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 1000 0.42 Binding ≤ 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) 2.60 4.01 -55.62 0 4 -1 61 281.316 0
    Mid Mid (pH 6-8) 2.60 4.49 -40.78 1 4 0 62 282.324 0

    Analogs

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKBA-1-E NF-kappaB Inhibitor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.35 Binding ≤ 10μM
    TF65-3-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 1600 0.34 Binding ≤ 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) 3.00 6.42 -50.61 0 7 -1 107 342.356 4
    Mid Mid (pH 6-8) 3.00 6.91 -40.52 1 7 0 108 343.364 4

    Analogs

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKBA-1-E NF-kappaB Inhibitor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 1100 0.40 Binding ≤ 10μM
    TF65-3-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 1100 0.40 Binding ≤ 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 4.53 -49.52 0 4 -1 61 315.761 0
    Mid Mid (pH 6-8) 3.25 5.01 -37.02 1 4 0 62 316.769 0
    Lo Low (pH 4.5-6) 3.25 4.47 -13.95 1 4 0 59 316.769 0

    Analogs

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKBA-1-E NF-kappaB Inhibitor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 6500 0.32 Binding ≤ 10μM
    TF65-3-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 1500 0.35 Binding ≤ 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) 2.62 5.64 -44.1 0 7 -1 107 328.329 4

    Analogs

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    IKBA-1-E NF-kappaB Inhibitor Alpha (cluster #1 Of 1), Eukaryotic Eukaryotes 6800 0.30 Binding ≤ 10μM
    TF65-3-E Nuclear Factor NF-kappa-B P65 Subunit (cluster #3 Of 3), Eukaryotic Eukaryotes 2100 0.33 Binding ≤ 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) 3.00 7.02 -61.35 0 7 -1 107 342.356 4
    Mid Mid (pH 6-8) 3.00 7.51 -42.79 1 7 0 108 343.364 4

    Parameters Provided:

    target.name = TF65-3-E
    target.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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'TF65-3-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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